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acetic acid, [[3-cyano-1,4,5,6-tetrahydro-4-(2-methylphenyl)-6-oxo-2-pyridinyl]thio]-, phenylmethyl ester
SpectraBase Compound ID LZCDafhCYa6
InChI InChI=1S/C22H20N2O3S/c1-15-7-5-6-10-17(15)18-11-20(25)24-22(19(18)12-23)28-14-21(26)27-13-16-8-3-2-4-9-16/h2-10,18H,11,13-14H2,1H3,(H,24,25)
InChIKey ODTJJAKPQLYFFU-UHFFFAOYSA-N
Mol Weight 392.47 g/mol
Molecular Formula C22H20N2O3S
Exact Mass 392.119464 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9cKxwUAQhAA
Name acetic acid, [[3-cyano-1,4,5,6-tetrahydro-4-(2-methylphenyl)-6-oxo-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/C22H20N2O3S/c1-15-7-5-6-10-17(15)18-11-20(25)24-22(19(18)12-23)28-14-21(26)27-13-16-8-3-2-4-9-16/h2-10,18H,11,13-14H2,1H3,(H,24,25)
InChIKey ODTJJAKPQLYFFU-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2145
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: NMR/11238426