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methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
SpectraBase Compound ID uLrnVkoiMI
InChI InChI=1S/C20H16ClN3O4/c1-11-13(21)9-6-10-14(11)23-18(25)15-16(20(27)28-2)22-24(17(15)19(23)26)12-7-4-3-5-8-12/h3-10,15,17H,1-2H3
InChIKey JIOWDABCXAKUTG-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 AQZTo8wkVB6
Name methyl 5-(3-chloro-2-methylphenyl)-4,6-dioxo-1-phenyl-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H16ClN3O4/c1-11-13(21)9-6-10-14(11)23-18(25)15-16(20(27)28-2)22-24(17(15)19(23)26)12-7-4-3-5-8-12/h3-10,15,17H,1-2H3
InChIKey JIOWDABCXAKUTG-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7447
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: D29796; Labnumber: SPGAL3-0373; SBI_ID: SBI-007450
Temperature 315 °C