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5-(4-Bromo-phenyl)-1-(2-chlorO-acetyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydro-pyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester
SpectraBase Compound ID D28cbLH9qm0
InChI InChI=1S/C15H11BrClN3O5/c1-25-15(24)11-10-12(20(18-11)9(21)6-17)14(23)19(13(10)22)8-4-2-7(16)3-5-8/h2-5,10,12H,6H2,1H3
InChIKey PSFKXLSKCMAHNP-UHFFFAOYSA-N
Mol Weight 428.63 g/mol
Molecular Formula C15H11BrClN3O5
Exact Mass 426.957061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 33Ho1D7hWS
Name 5-(4-Bromo-phenyl)-1-(2-chlorO-acetyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydro-pyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester
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Formula C15H11BrClN3O5
InChI InChI=1S/C15H11BrClN3O5/c1-25-15(24)11-10-12(20(18-11)9(21)6-17)14(23)19(13(10)22)8-4-2-7(16)3-5-8/h2-5,10,12H,6H2,1H3
InChIKey PSFKXLSKCMAHNP-UHFFFAOYSA-N
Molecular Weight 428.626 g/mol
SMILES C12N(N=C(C2C(N(C1=O)c1ccc(cc1)Br)=O)C(OC)=O)C(CCl)=O
SPLASH splash10-0002-9810100000-e0928d449771c894dbc7
Synonyms Methyl 5-(4-bromophenyl)-1-(chloroacetyl)-4,6-dioxo-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate
Wiley ID 1437702