benzoic acid, 4-[[[(6,7-dihydro-2-methyl-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-, methyl ester

SpectraBase Compound ID	3yYINN5XX9p
InChI	InChI=1S/C20H19N3O3S2/c1-11-21-18(17-14-4-3-5-15(14)28-19(17)22-11)27-10-16(24)23-13-8-6-12(7-9-13)20(25)26-2/h6-9H,3-5,10H2,1-2H3,(H,23,24)
InChIKey	IVVLCRKGUCPILM-UHFFFAOYSA-N Google Search
Mol Weight	413.51 g/mol
Molecular Formula	C20H19N3O3S2
Exact Mass	413.086784 g/mol

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SpectraBase Spectrum ID	GxW0zrhwcjY
Name	benzoic acid, 4-[[[(6,7-dihydro-2-methyl-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-, 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/C20H19N3O3S2/c1-11-21-18(17-14-4-3-5-15(14)28-19(17)22-11)27-10-16(24)23-13-8-6-12(7-9-13)20(25)26-2/h6-9H,3-5,10H2,1-2H3,(H,23,24)
InChIKey	IVVLCRKGUCPILM-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_3517_1020
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/11228742