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1H-Pyrrole-3,4-dicarboxylic acid, 2-(3,5-dichloro-2-methoxyphenyl)-, diethyl ester
SpectraBase Compound ID Ip7clef33ZW
InChI InChI=1S/C17H17Cl2NO5/c1-4-24-16(21)11-8-20-14(13(11)17(22)25-5-2)10-6-9(18)7-12(19)15(10)23-3/h6-8,20H,4-5H2,1-3H3
InChIKey IWEGMXSJWHDJJZ-UHFFFAOYSA-N
Mol Weight 386.23 g/mol
Molecular Formula C17H17Cl2NO5
Exact Mass 385.048378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ddhwnchl9VX
Name 1H-Pyrrole-3,4-dicarboxylic acid, 2-(3,5-dichloro-2-methoxyphenyl)-, diethyl ester
CAS Registry Number 69640-17-1
Comments Less than 3 mono-isotopic peaks
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Formula C17H17Cl2NO5
InChI InChI=1S/C17H17Cl2NO5/c1-4-24-16(21)11-8-20-14(13(11)17(22)25-5-2)10-6-9(18)7-12(19)15(10)23-3/h6-8,20H,4-5H2,1-3H3
InChIKey IWEGMXSJWHDJJZ-UHFFFAOYSA-N
Molecular Weight 386.231 g/mol
SMILES [nH]1cc(c(c1-c1c(c(Cl)cc(c1)Cl)OC)C(=O)OCC)C(=O)OCC
SPLASH splash10-000i-0009000000-8dd16cd48e88b8cfda6d
Source of Spectrum KC-1978-1592-0
Synonyms diethyl 2-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole-3,4-dicarboxylate Diethyl 2-(3,5-dichloro-2-methoxyphenyl)pyrrole-3,4-dicarboxylate
Wiley ID 1362101