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

SpectraBase Compound ID	Huqgx3LVyv5
InChI	InChI=1S/C22H21N3O4/c1-4-29-22(28)18-17-19(25(23-18)16-11-7-14(3)8-12-16)21(27)24(20(17)26)15-9-5-13(2)6-10-15/h5-12,17,19H,4H2,1-3H3
InChIKey	HWABDGNIOJVAKM-UHFFFAOYSA-N Google Search
Mol Weight	391.43 g/mol
Molecular Formula	C22H21N3O4
Exact Mass	391.153206 g/mol

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SpectraBase Spectrum ID	DQXVFw6jrte
Name	pyrrolo[3,4-c]pyrazole-3-carboxylic acid, 1,3a,4,5,6,6a-hexahydro-1,5-bis(4-methylphenyl)-4,6-dioxo-, 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/C22H21N3O4/c1-4-29-22(28)18-17-19(25(23-18)16-11-7-14(3)8-12-16)21(27)24(20(17)26)15-9-5-13(2)6-10-15/h5-12,17,19H,4H2,1-3H3
InChIKey	HWABDGNIOJVAKM-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_2110
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/11268646