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pyrrolo[3,4-c]pyrazole-3-carboxylic acid, 5-(3-chloro-2-methylphenyl)-1,3a,4,5,6,6a-hexahydro-4,6-dioxo-, methyl ester
SpectraBase Compound ID 9nfSaJUFbMN
InChI InChI=1S/C14H12ClN3O4/c1-6-7(15)4-3-5-8(6)18-12(19)9-10(13(18)20)16-17-11(9)14(21)22-2/h3-5,9-10,16H,1-2H3
InChIKey SHYZHEQLCKMYAP-UHFFFAOYSA-N
Mol Weight 321.72 g/mol
Molecular Formula C14H12ClN3O4
Exact Mass 321.051634 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2RFpfqWk1JK
Name pyrrolo[3,4-c]pyrazole-3-carboxylic acid, 5-(3-chloro-2-methylphenyl)-1,3a,4,5,6,6a-hexahydro-4,6-dioxo-, 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/C14H12ClN3O4/c1-6-7(15)4-3-5-8(6)18-12(19)9-10(13(18)20)16-17-11(9)14(21)22-2/h3-5,9-10,16H,1-2H3
InChIKey SHYZHEQLCKMYAP-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_2692
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/10218155