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3-Methyl-4-p-toluoyl-1H-pyrrole-2-carboxylic acid ethyl ester
SpectraBase Compound ID 3GNaJTyZcfN
InChI InChI=1S/C16H17NO3/c1-4-20-16(19)14-11(3)13(9-17-14)15(18)12-7-5-10(2)6-8-12/h5-9,17H,4H2,1-3H3
InChIKey HFJCKLVQPCRMIN-UHFFFAOYSA-N
Mol Weight 271.32 g/mol
Molecular Formula C16H17NO3
Exact Mass 271.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CSDnPanZM5F
Name 3-Methyl-4-p-toluoyl-1H-pyrrole-2-carboxylic acid ethyl ester
Alternate Name(s) 3-Methyl-4-[(4-methylphenyl)-oxomethyl]-1H-pyrrole-2-carboxylic acid ethyl ester Ethyl 3-methyl-4-(4-methylbenzoyl)-1H-pyrrole-2-carboxylate Ethyl 3-methyl-4-(4-methylphenyl)carbonyl-1H-pyrrole-2-carboxylate
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Formula C16H17NO3
InChI InChI=1S/C16H17NO3/c1-4-20-16(19)14-11(3)13(9-17-14)15(18)12-7-5-10(2)6-8-12/h5-9,17H,4H2,1-3H3
InChIKey HFJCKLVQPCRMIN-UHFFFAOYSA-N
Molecular Weight 271.316 g/mol
SMILES [nH]1c(c(c(c1)C(c1ccc(cc1)C)=O)C)C(=O)OCC
SPLASH splash10-074i-0190000000-2344c6422e3f69c5aa4b
Source of Spectrum AJ-42-506-4
Wiley ID 1567852