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Pyrrolo[3,4-c]pyrazole-3-carboxylic acid, 3,3a,4,5,6,6a-hexahydro-5-(4-bromophenyl)-4,6-dioxo-, methyl ester
SpectraBase Compound ID 1hVX0MQrfne
InChI InChI=1S/C13H10BrN3O4/c1-21-13(20)10-8-9(15-16-10)12(19)17(11(8)18)7-4-2-6(14)3-5-7/h2-5,8-10H,1H3
InChIKey KMIYUWGMYHQNET-UHFFFAOYSA-N
Mol Weight 352.14 g/mol
Molecular Formula C13H10BrN3O4
Exact Mass 350.985469 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ab1YRAvo936
Name Pyrrolo[3,4-c]pyrazole-3-carboxylic acid, 3,3a,4,5,6,6a-hexahydro-5-(4-bromophenyl)-4,6-dioxo-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10BrN3O4
InChI InChI=1S/C13H10BrN3O4/c1-21-13(20)10-8-9(15-16-10)12(19)17(11(8)18)7-4-2-6(14)3-5-7/h2-5,8-10H,1H3
InChIKey KMIYUWGMYHQNET-UHFFFAOYSA-N
Molecular Weight 352.144 g/mol
SMILES C(OC)(=O)C1C2C(N=N1)C(N(C2=O)c1ccc(cc1)Br)=O
SPLASH splash10-0002-7900000000-d7018c884fe5b8abc9d4
Source of Spectrum AD-0-2532-0
Synonyms 5-(4-bromophenyl)-4,6-diketo-3a,6a-dihydro-3H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester 5-(4-bromophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester Methyl 5-(4-bromophenyl)-4,6-bis(oxidanylidene)-3a,6a-dihydro-3H-pyrrolo[3,4-c]pyrazole-3-carboxylate Methyl 5-(4-bromophenyl)-4,6-dioxo-3,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate Methyl 5-(4-bromophenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Wiley ID 1419833