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

View entire compound with spectra: 1 NMR

pyrrolo[3,4-c]pyrazole-3-carboxylic acid, 1-(3-chlorophenyl)-1,3a,4,5,6,6a-hexahydro-5-(4-methylphenyl)-4,6-dioxo-, ethyl ester
SpectraBase Compound ID L0tRbDtsrik
InChI InChI=1S/C21H18ClN3O4/c1-3-29-21(28)17-16-18(25(23-17)15-6-4-5-13(22)11-15)20(27)24(19(16)26)14-9-7-12(2)8-10-14/h4-11,16,18H,3H2,1-2H3
InChIKey PESSLEIJSSSMRT-UHFFFAOYSA-N
Mol Weight 411.85 g/mol
Molecular Formula C21H18ClN3O4
Exact Mass 411.098584 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IVO7HYIQp8c
Name pyrrolo[3,4-c]pyrazole-3-carboxylic acid, 1-(3-chlorophenyl)-1,3a,4,5,6,6a-hexahydro-5-(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/C21H18ClN3O4/c1-3-29-21(28)17-16-18(25(23-17)15-6-4-5-13(22)11-15)20(27)24(19(16)26)14-9-7-12(2)8-10-14/h4-11,16,18H,3H2,1-2H3
InChIKey PESSLEIJSSSMRT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2111
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/11268647