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

SpectraBase Compound ID	4B6BomYsQSq
InChI	InChI=1S/C18H18N2O5S/c1-2-5-23-17(22)9-26-18-13(8-19)12(7-16(21)20-18)11-3-4-14-15(6-11)25-10-24-14/h3-4,6,12H,2,5,7,9-10H2,1H3,(H,20,21)
InChIKey	RWGOAGLMOINBFW-UHFFFAOYSA-N Google Search
Mol Weight	374.41 g/mol
Molecular Formula	C18H18N2O5S
Exact Mass	374.093643 g/mol

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SpectraBase Spectrum ID	IH1N2UUdjr9
Name	acetic acid, [[4-(1,3-benzodioxol-5-yl)-3-cyano-1,4,5,6-tetrahydro-6-oxo-2-pyridinyl]thio]-, propyl 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/C18H18N2O5S/c1-2-5-23-17(22)9-26-18-13(8-19)12(7-16(21)20-18)11-3-4-14-15(6-11)25-10-24-14/h3-4,6,12H,2,5,7,9-10H2,1H3,(H,20,21)
InChIKey	RWGOAGLMOINBFW-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_3517_2270
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/11238575