benzoic acid, 4-[1,4,5,6-tetrahydro-5-(2-methoxyethyl)-6-oxo-3-(2-thienyl)pyrrolo[3,4-c]pyrazol-4-yl]-, methyl ester

SpectraBase Compound ID	8V5AWs2rL2y
InChI	InChI=1S/C20H19N3O4S/c1-26-10-9-23-18(12-5-7-13(8-6-12)20(25)27-2)15-16(14-4-3-11-28-14)21-22-17(15)19(23)24/h3-8,11,18H,9-10H2,1-2H3,(H,21,22)
InChIKey	XMDBDEGVXKHRSI-UHFFFAOYSA-N Google Search
Mol Weight	397.45 g/mol
Molecular Formula	C20H19N3O4S
Exact Mass	397.109627 g/mol

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SpectraBase Spectrum ID	6XnKBHBLCdZ
Name	benzoic acid, 4-[1,4,5,6-tetrahydro-5-(2-methoxyethyl)-6-oxo-3-(2-thienyl)pyrrolo[3,4-c]pyrazol-4-yl]-, 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/C20H19N3O4S/c1-26-10-9-23-18(12-5-7-13(8-6-12)20(25)27-2)15-16(14-4-3-11-28-14)21-22-17(15)19(23)24/h3-8,11,18H,9-10H2,1-2H3,(H,21,22)
InChIKey	XMDBDEGVXKHRSI-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_7281
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/18301280; Labnumber: GEI-PFA1892