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ethyl 5-(4-bromophenyl)-1-(4-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
SpectraBase Compound ID A5pFAyDVHhi
InChI InChI=1S/C21H18BrN3O4/c1-3-29-21(28)17-16-18(25(23-17)15-8-4-12(2)5-9-15)20(27)24(19(16)26)14-10-6-13(22)7-11-14/h4-11,16,18H,3H2,1-2H3
InChIKey BSFVOERALJXLNR-UHFFFAOYSA-N
Mol Weight 456.3 g/mol
Molecular Formula C21H18BrN3O4
Exact Mass 455.048069 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID iJynniy8j
Name ethyl 5-(4-bromophenyl)-1-(4-methylphenyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
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/C21H18BrN3O4/c1-3-29-21(28)17-16-18(25(23-17)15-8-4-12(2)5-9-15)20(27)24(19(16)26)14-10-6-13(22)7-11-14/h4-11,16,18H,3H2,1-2H3
InChIKey BSFVOERALJXLNR-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7734
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: D32749; Labnumber: SPGAL3-0416; SBI_ID: SBI-007737
Temperature 318 °C