For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
acetic acid, [(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-, phenylmethyl ester
SpectraBase Compound ID CgLHRd7qgLh
InChI InChI=1S/C17H16N2O2S/c1-12-8-13(2)19-17(15(12)9-18)22-11-16(20)21-10-14-6-4-3-5-7-14/h3-8H,10-11H2,1-2H3
InChIKey QHABOESTJZLCRZ-UHFFFAOYSA-N
Mol Weight 312.39 g/mol
Molecular Formula C17H16N2O2S
Exact Mass 312.093249 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID J38UvEmVn23
Name acetic acid, [(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-, phenylmethyl ester
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H16N2O2S/c1-12-8-13(2)19-17(15(12)9-18)22-11-16(20)21-10-14-6-4-3-5-7-14/h3-8H,10-11H2,1-2H3
InChIKey QHABOESTJZLCRZ-UHFFFAOYSA-N
NMR Offset 15.2038
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_8516_3362
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: AG-205/5059436; Labnumber: TSH-1124; IOH_ID: IOH-010365
Temperature 313 °C