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4-bromo-5-[(3-bromo-5-carbomethoxy-1H-pyrrol-2-yl)methyl]-1H-pyrrole-2-carboxylic acid methyl ester
SpectraBase Compound ID Iw2aGN51dDm
InChI InChI=1S/C13H12Br2N2O4/c1-20-12(18)10-3-6(14)8(16-10)5-9-7(15)4-11(17-9)13(19)21-2/h3-4,16-17H,5H2,1-2H3
InChIKey IHYOSMSEBYEDGE-UHFFFAOYSA-N
Mol Weight 420.06 g/mol
Molecular Formula C13H12Br2N2O4
Exact Mass 417.916383 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L2WdRwDmGGW
Name 4-bromo-5-[(3-bromo-5-carbomethoxy-1H-pyrrol-2-yl)methyl]-1H-pyrrole-2-carboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C13H12Br2N2O4
InChI InChI=1S/C13H12Br2N2O4/c1-20-12(18)10-3-6(14)8(16-10)5-9-7(15)4-11(17-9)13(19)21-2/h3-4,16-17H,5H2,1-2H3
InChIKey IHYOSMSEBYEDGE-UHFFFAOYSA-N
Molecular Weight 420.057 g/mol
SMILES [nH]1c(cc(c1Cc1c(cc([nH]1)C(=O)OC)Br)Br)C(=O)OC
SPLASH splash10-00di-0000900000-47a1ce391829d0b4025e
Source of Spectrum KC-0-1445-7
Synonyms 4-bromo-5-[(3-bromo-5-methoxycarbonyl-1H-pyrrol-2-yl)methyl]-1H-pyrrole-2-carboxylic acid methyl ester methyl 4-bromanyl-5-[(3-bromanyl-5-methoxycarbonyl-1H-pyrrol-2-yl)methyl]-1H-pyrrole-2-carboxylate
Wiley ID 787991