pyrrolo[3,4-c]pyrazole-3-carboxylic acid, 5-(4-chlorophenyl)-1,3a,4,5,6,6a-hexahydro-4,6-dioxo-1-phenyl-, ethyl ester

SpectraBase Compound ID	Csyei5vIbKS
InChI	InChI=1S/C20H16ClN3O4/c1-2-28-20(27)16-15-17(24(22-16)14-6-4-3-5-7-14)19(26)23(18(15)25)13-10-8-12(21)9-11-13/h3-11,15,17H,2H2,1H3
InChIKey	QMSRKXOPQMMKMS-UHFFFAOYSA-N Google Search
Mol Weight	397.82 g/mol
Molecular Formula	C20H16ClN3O4
Exact Mass	397.082934 g/mol

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SpectraBase Spectrum ID	BFtveTuuCrz
Name	pyrrolo[3,4-c]pyrazole-3-carboxylic acid, 5-(4-chlorophenyl)-1,3a,4,5,6,6a-hexahydro-4,6-dioxo-1-phenyl-, ethyl 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/C20H16ClN3O4/c1-2-28-20(27)16-15-17(24(22-16)14-6-4-3-5-7-14)19(26)23(18(15)25)13-10-8-12(21)9-11-13/h3-11,15,17H,2H2,1H3
InChIKey	QMSRKXOPQMMKMS-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_2103
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/11268637