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ethyl 4-(4-chlorobenzoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
SpectraBase Compound ID DEHCMRznMZG
InChI InChI=1S/C16H16ClNO3/c1-4-21-16(20)14-9(2)13(10(3)18-14)15(19)11-5-7-12(17)8-6-11/h5-8,18H,4H2,1-3H3
InChIKey FNEIIUNDJCBYAH-UHFFFAOYSA-N
Mol Weight 305.76 g/mol
Molecular Formula C16H16ClNO3
Exact Mass 305.081871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Irt2fFea9J
Name Ethyl 4-(4-chlorobenzoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Alternate Name(s) 4-(4-Chlorobenzoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester 4-[(4-chlorophenyl)-oxomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Ethyl 4-(4-chlorophenyl)carbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Pyrrole-2-carboxylic acid, 4-(4-chlorobenzoyl)-3,5-dimethyl-, ethyl ester
CAS Registry Number 298687-88-4
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Formula C16H16ClNO3
InChI InChI=1S/C16H16ClNO3/c1-4-21-16(20)14-9(2)13(10(3)18-14)15(19)11-5-7-12(17)8-6-11/h5-8,18H,4H2,1-3H3
InChIKey FNEIIUNDJCBYAH-UHFFFAOYSA-N
Molecular Weight 305.761 g/mol
SMILES [nH]1c(c(c(c1C)C(c1ccc(cc1)Cl)=O)C)C(=O)OCC
SPLASH splash10-0a4i-4896000000-a082e8e775974d03d6b3
Source of Spectrum AD-0-2532-0
Wiley ID 1430023