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1H-Pyrrole-3,4-dicarboxylic acid, 2-bromo-5-(3,5-dibromo-2-methoxyphenyl)-, diethyl ester
SpectraBase Compound ID 1VK01BtLxH
InChI InChI=1S/C17H16Br3NO5/c1-4-25-16(22)11-12(17(23)26-5-2)15(20)21-13(11)9-6-8(18)7-10(19)14(9)24-3/h6-7,21H,4-5H2,1-3H3
InChIKey HYYUJJMTVSWCGD-UHFFFAOYSA-N
Mol Weight 554.03 g/mol
Molecular Formula C17H16Br3NO5
Exact Mass 550.857862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6yEjKniibBZ
Name 1H-Pyrrole-3,4-dicarboxylic acid, 2-bromo-5-(3,5-dibromo-2-methoxyphenyl)-, diethyl ester
CAS Registry Number 69640-16-0
Comments Less than 3 mono-isotopic peaks
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Formula C17H16Br3NO5
InChI InChI=1S/C17H16Br3NO5/c1-4-25-16(22)11-12(17(23)26-5-2)15(20)21-13(11)9-6-8(18)7-10(19)14(9)24-3/h6-7,21H,4-5H2,1-3H3
InChIKey HYYUJJMTVSWCGD-UHFFFAOYSA-N
Molecular Weight 554.029 g/mol
SMILES [nH]1c(c(c(c1-c1c(c(Br)cc(c1)Br)OC)C(=O)OCC)C(=O)OCC)Br
SPLASH splash10-0pb9-0000090000-925c316f01e3830fa904
Source of Spectrum KC-1978-1592-0
Synonyms Diethyl 2-(3,5-dibromo-2-methoxyphenyl)pyrrole-5-bromo-3,4-dicarboxylate diethyl 2-bromo-5-(3,5-dibromo-2-methoxyphenyl)-1H-pyrrole-3,4-dicarboxylate
Wiley ID 1405821