2,3-Bis(4-hydroxyphenyl)-propionitrile (Diarylprepionitrile, DPN) is an ERβ-selective agonist; IC 50 = 15nM. You may experience the IR spectra for 20 sample substances prior to purchasing. The anticipated amount of data and information to be published is up to 10 billion sets. The table lists the vibrational frequencies and IR intensities. Please hyperlink "Mol-Instincts" to www.molinstincts.com. but currently unavailable in Mol-instincts. Precisely estimated Infrared (IR) spectra information of 3-Methoxypropionitrile based on a rigorous quantum mechanical calculation has been presented on this webpage, which are insightful not only for further scientific research and development but also for preparing professional reports, articles, presentations, webpages, books, etc. Copyright © 1980, 1981-2020 John Wiley & Sons, Inc. All Rights Reserved. SpectraBase Compound ID: 8E7TlF7iUte: InChI: ... Mol Weight: 55.08 g/mol: Molecular Formula: C3H5N: Exact Mass: 55.042199 g/mol: Attenuated Total Reflectance Infrared (ATR-IR) Spectrum. The IR spectra processing engine has been developed as a part of Mol-Instincts platform to process dozens of millions of chemical substances at a time on an automatic basis. All rights reserved. Source: Mol-Instincts Chemical Database, Predicted on Quantum. 24A, pp. All accesses are recorded. The chart is re-scalable with the zoom-in and zoom-out capability, and provides the normalization, scaling factor, as well as full width at half maximum (FWHM), etc. You may access the entire data and information below for the 20 sample substances as well at no cost. Printed in Northern Ireland The vibrational spectra of propionitrile, 2-chloro and 2-bromo propionitrile P. KJJABOE and J. GRUNDNEs Department of Chemistry, University of Oslo, Oslo 3, Norway (Received 1 March 1968) Abstract-The infrared spectra of propionitrile … An URL page to access the IR Spectra for 3-Methoxypropionitrile will be sent to you via email once your payment is complete. SpectraBase Compound ID=8E7TlF7iUte By continuing to use this site, you agree to the use of cookies. IR spectra … The infrared spectra of propionitrile were recorded in the gaseous and liquid states, 2-chloro propionitrile was studied in the gaseous, liquid and solid states and 2-bromo propionitrile in the liquid and solid states. ChemRTP is a real-time predictor of the various properties of pure chemical substances based on QSPR (Quantitative Structure-Property Relationship), and an artificial neural network based AI (Artificial Intelligence). Pergamon Press 1968. Comparison of the estimated IR spectra with the experimental IR spectra for 20 sample substances is available as well. The engine is presently applied to generate the IR spectra available on the web, targeting billions of pure substance IR spectra to be created over the next few years. SpectraBase Spectrum ID=IJ3dwyBcf26 This site uses cookies. However we request visitors to our database not to download more than 50 spectra and/or compound information in one day. Spectrum Chemical manufactures and distributes fine chemicals with quality you can count on including those with CAS number 107-12-0, Whether you call it Propionitrile, Cyanoethane or Ethyl Cyanide you can be assured the Propionitrile products offered by Spectrum… Summarized Raw Data of Quantum Mechanical Calculation Results (Free), Molecular Descriptors of 2,004 values in 24 Categories (Free), Mol-Instincts and ChemRTP have been cited, Heat of Vaporization at Normal Boiling Point, LogP (Octanol-Water Partition Coefficient), Ghose-Crippen Octanol-Water Partition Coefficient (logP), Moriguchi Octanol-Water Partition Coefficient (logP), Activity Score for Ion Channel Modulators, Activity Score for Nuclear Receptor Ligands, Molecular Orbital Analysis in Addition to HOMO & LUMO, Normal Mode Vibrational Analysis with Animation, 3D Visualization and Analysis with Zooming and Rotation Features. As an illustration, a snapshot of the chart of IR spectra for cholesterol is given below: Please refer to the “How Accurate Are They?” in our IR spectra page. Moreover, 2-chloro and 2-bromo propionitrile were studied in solvents of varying polarity. Identify active compounds in your natural products from the MS/MS data uploaded from your side. Mol-Instincts is a fundamental chemical database powered by 41 patented technologies founded on quantum mechanics, statistical thermodynamics, QSPR (Quantitative Structure-Property Relationship), and an artificial neural network based AI (Artificial Intelligence). Mol-Instincts and ChemRTP have been cited a number of times in high-impact scientific journals including but not limited to NATURE, ELSEVIER, Springer, ACS (American Chemical Society), RSC (Royal Society of Chemistry), Wiley, etc. http://spectrabase.com/spectrum/IJ3dwyBcf26, View entire compound with free spectra: 3 NMR and 4 FTIR. The full spectrum … 2c. DPN protects WT and ARKO mice and significantly decreases IL-1β following LPS treatment in young … http://spectrabase.com/spectrum/IJ3dwyBcf26 A secondary amine: Here we have the IR of dipropyl amine, (CH 3 CH 2 CH 2) 2 NH. For our Mol-Instincts and/or ChemRTP users to be more efficient in accessing the required data and information, we are publishing the webpages providing various properties of pure chemical substances that may be readily found through Google search. • O–H, N–H, and C–H • C≡N and C≡C • C=C, C=N, C=O Much of the spectra can be … The contents of this page can freely be shared if cited as follows:

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