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acetic acid, [[3-cyano-4-(4-ethylphenyl)-1,4,5,6-tetrahydro-6-oxo-2-pyridinyl]thio]-, phenylmethyl ester
SpectraBase Compound ID LMWwcR5TaxN
InChI InChI=1S/C23H22N2O3S/c1-2-16-8-10-18(11-9-16)19-12-21(26)25-23(20(19)13-24)29-15-22(27)28-14-17-6-4-3-5-7-17/h3-11,19H,2,12,14-15H2,1H3,(H,25,26)
InChIKey VINCEJXQBCVCHW-UHFFFAOYSA-N
Mol Weight 406.5 g/mol
Molecular Formula C23H22N2O3S
Exact Mass 406.135114 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LUb6HYxJ51A
Name acetic acid, [[3-cyano-4-(4-ethylphenyl)-1,4,5,6-tetrahydro-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/C23H22N2O3S/c1-2-16-8-10-18(11-9-16)19-12-21(26)25-23(20(19)13-24)29-15-22(27)28-14-17-6-4-3-5-7-17/h3-11,19H,2,12,14-15H2,1H3,(H,25,26)
InChIKey VINCEJXQBCVCHW-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2101
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/11238369