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

SpectraBase Compound ID	GmbSENvTvDc
InChI	InChI=1S/C19H20N2O5S/c1-2-3-6-24-18(23)10-27-19-14(9-20)13(8-17(22)21-19)12-4-5-15-16(7-12)26-11-25-15/h4-5,7,13H,2-3,6,8,10-11H2,1H3,(H,21,22)
InChIKey	PWGCYZQOYHYJEN-UHFFFAOYSA-N Google Search
Mol Weight	388.44 g/mol
Molecular Formula	C19H20N2O5S
Exact Mass	388.109293 g/mol

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SpectraBase Spectrum ID	EF4KZkBpyV3
Name	acetic acid, [[4-(1,3-benzodioxol-5-yl)-3-cyano-1,4,5,6-tetrahydro-6-oxo-2-pyridinyl]thio]-, butyl 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/C19H20N2O5S/c1-2-3-6-24-18(23)10-27-19-14(9-20)13(8-17(22)21-19)12-4-5-15-16(7-12)26-11-25-15/h4-5,7,13H,2-3,6,8,10-11H2,1H3,(H,21,22)
InChIKey	PWGCYZQOYHYJEN-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_3517_2273
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/11238578