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1H-Pyrrole-3-carboxylic acid, 5,5'-(2,2,2-trichloroethylidene)bis[2,4-dimethyl-, diethyl ester
SpectraBase Compound ID 2WnPsfa94wN
InChI InChI=1S/C20H25Cl3N2O4/c1-7-28-18(26)13-9(3)16(24-11(13)5)15(20(21,22)23)17-10(4)14(12(6)25-17)19(27)29-8-2/h15,24-25H,7-8H2,1-6H3
InChIKey DMAOBXXCJVIQKK-UHFFFAOYSA-N
Mol Weight 463.79 g/mol
Molecular Formula C20H25Cl3N2O4
Exact Mass 462.08799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CaDiLkpSHh1
Name 1H-Pyrrole-3-carboxylic acid, 5,5'-(2,2,2-trichloroethylidene)bis[2,4-dimethyl-, diethyl ester
CAS Registry Number 120456-26-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25Cl3N2O4
InChI InChI=1S/C20H25Cl3N2O4/c1-7-28-18(26)13-9(3)16(24-11(13)5)15(20(21,22)23)17-10(4)14(12(6)25-17)19(27)29-8-2/h15,24-25H,7-8H2,1-6H3
InChIKey DMAOBXXCJVIQKK-UHFFFAOYSA-N
Molecular Weight 463.789 g/mol
SMILES [nH]1c(c(c(c1C(c1c(c(C(=O)OCC)c([nH]1)C)C)C(Cl)(Cl)Cl)C)C(=O)OCC)C
SPLASH splash10-000i-9001000000-3f140f3bf272f17876b3
Source of Spectrum AH-119-1034-5
Synonyms 2,8-Diearbethoxy-1,3,7,9-tetramethyl-5-trichlormethyl-5,10-dihydro-dipyrrine Ethyl 2,4-dimethyl-5-{2,2,2-trichloro-1-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrrol-2-yl]ethyl}-1H-pyrrole-3-carboxylate
Wiley ID 1390927