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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
Mol Weight 397.82 g/mol
Molecular Formula C20H16ClN3O4
Exact Mass 397.082934 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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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