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methyl 5-(3-bromophenyl)-1-nitroso-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
SpectraBase Compound ID BeWvQgwIPxX
InChI InChI=1S/C13H9BrN4O5/c1-23-13(21)9-8-10(18(15-9)16-22)12(20)17(11(8)19)7-4-2-3-6(14)5-7/h2-5,8,10H,1H3
InChIKey GWZKVOFSEDYVEX-UHFFFAOYSA-N
Mol Weight 381.14 g/mol
Molecular Formula C13H9BrN4O5
Exact Mass 379.975632 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H0hPI2uQPEH
Name methyl 5-(3-bromophenyl)-1-nitroso-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/C13H9BrN4O5/c1-23-13(21)9-8-10(18(15-9)16-22)12(20)17(11(8)19)7-4-2-3-6(14)5-7/h2-5,8,10H,1H3
InChIKey GWZKVOFSEDYVEX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2697
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: D04413; Labnumber: MOL-2348; SBI_ID: SBI-002699
Temperature 318 °C