acetic acid, [[3-cyano-4-(4-ethylphenyl)-1,4,5,6-tetrahydro-6-oxo-2-pyridinyl]thio]-, methyl ester

SpectraBase Compound ID	AVOxFhej7Is
InChI	InChI=1S/C17H18N2O3S/c1-3-11-4-6-12(7-5-11)13-8-15(20)19-17(14(13)9-18)23-10-16(21)22-2/h4-7,13H,3,8,10H2,1-2H3,(H,19,20)
InChIKey	JWMNFILRCDIXRE-UHFFFAOYSA-N Google Search
Mol Weight	330.4 g/mol
Molecular Formula	C17H18N2O3S
Exact Mass	330.103814 g/mol

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SpectraBase Spectrum ID	JF0xEKEID7r
Name	acetic acid, [[3-cyano-4-(4-ethylphenyl)-1,4,5,6-tetrahydro-6-oxo-2-pyridinyl]thio]-, methyl 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/C17H18N2O3S/c1-3-11-4-6-12(7-5-11)13-8-15(20)19-17(14(13)9-18)23-10-16(21)22-2/h4-7,13H,3,8,10H2,1-2H3,(H,19,20)
InChIKey	JWMNFILRCDIXRE-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_3517_2100
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/11238368