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Pyrrolo[3,4-c]pyrazole-3-carboxylic acid, 1-acetyl-1,3a,4,5,6,6a-hexahydro-5-(4-iodophenyl)-4,6-dioxo-, methyl ester
SpectraBase Compound ID 3dkKrZenrXX
InChI InChI=1S/C15H12IN3O5/c1-7(20)19-12-10(11(17-19)15(23)24-2)13(21)18(14(12)22)9-5-3-8(16)4-6-9/h3-6,10,12H,1-2H3
InChIKey JXDAKCXPAFIESZ-UHFFFAOYSA-N
Mol Weight 441.18 g/mol
Molecular Formula C15H12IN3O5
Exact Mass 440.982165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AT1rNdNTs38
Name Pyrrolo[3,4-c]pyrazole-3-carboxylic acid, 1-acetyl-1,3a,4,5,6,6a-hexahydro-5-(4-iodophenyl)-4,6-dioxo-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12IN3O5
InChI InChI=1S/C15H12IN3O5/c1-7(20)19-12-10(11(17-19)15(23)24-2)13(21)18(14(12)22)9-5-3-8(16)4-6-9/h3-6,10,12H,1-2H3
InChIKey JXDAKCXPAFIESZ-UHFFFAOYSA-N
Molecular Weight 441.181 g/mol
SMILES C12C(N(C(=O)C)N=C2C(=O)OC)C(=O)N(C1=O)c1ccc(cc1)I
SPLASH splash10-0007-9131100000-e0dc91c58b0e4160fa47
Source of Spectrum IY-1-4632-7
Synonyms 1-Acetyl-5-(4-iodophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylic acid methyl ester Methyl 1-acetyl-5-(4-iodophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate Methyl 1-ethanoyl-5-(4-iodophenyl)-4,6-bis(oxidanylidene)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
Wiley ID 1654310