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1H-Pyrrole-3,4-dicarboxylic acid, 2-bromo-5-(5-bromo-2-methoxyphenyl)-, diethyl ester
SpectraBase Compound ID LXj0AHLPwP
InChI InChI=1S/C17H17Br2NO5/c1-4-24-16(21)12-13(17(22)25-5-2)15(19)20-14(12)10-8-9(18)6-7-11(10)23-3/h6-8,20H,4-5H2,1-3H3
InChIKey SENMKJNKKSQNMW-UHFFFAOYSA-N
Mol Weight 475.13 g/mol
Molecular Formula C17H17Br2NO5
Exact Mass 472.947349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kci1egBWBqZ
Name 1H-Pyrrole-3,4-dicarboxylic acid, 2-bromo-5-(5-bromo-2-methoxyphenyl)-, diethyl ester
CAS Registry Number 69640-20-6
Comments Less than 3 mono-isotopic peaks
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Formula C17H17Br2NO5
InChI InChI=1S/C17H17Br2NO5/c1-4-24-16(21)12-13(17(22)25-5-2)15(19)20-14(12)10-8-9(18)6-7-11(10)23-3/h6-8,20H,4-5H2,1-3H3
InChIKey SENMKJNKKSQNMW-UHFFFAOYSA-N
Molecular Weight 475.133 g/mol
SMILES [nH]1c(c(c(c1-c1c(ccc(c1)Br)OC)C(=O)OCC)C(=O)OCC)Br
SPLASH splash10-004i-0000900000-504ee7a03d00e5e3c777
Source of Spectrum KC-1978-1593-0
Synonyms Diethyl 2-(5-bromo-2-methoxyphenyl)pyrrole-5-bromo-3,4-dicarboxylate diethyl 2-bromo-5-(5-bromo-2-methoxyphenyl)-1H-pyrrole-3,4-dicarboxylate
Wiley ID 1393601