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ethyl 3,5-dimethyl-4-(2-methylbutanoyl)-1H-pyrrole-2-carboxylate
SpectraBase Compound ID LAifziDUbVq
InChI InChI=1S/C14H21NO3/c1-6-8(3)13(16)11-9(4)12(15-10(11)5)14(17)18-7-2/h8,15H,6-7H2,1-5H3
InChIKey APIUJVLAHOXRKN-UHFFFAOYSA-N
Mol Weight 251.33 g/mol
Molecular Formula C14H21NO3
Exact Mass 251.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSmw02SJjfg
Name Ethyl 3,5-dimethyl-4-(2-methylbutanoyl)-1H-pyrrole-2-carboxylate
Alternate Name(s) 3,5-Dimethyl-4-(2-methyl-1-oxobutyl)-1H-pyrrole-2-carboxylic acid ethyl ester 3,5-Dimethyl-4-(2-methylbutanoyl)-1H-pyrrole-2-carboxylic acid ethyl ester Pyrrole-2-carboxylic acid, 3,5-dimethyl-4-(2-methyl-1-oxobutyl)-, ethyl ester
CAS Registry Number 63485-60-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO3
InChI InChI=1S/C14H21NO3/c1-6-8(3)13(16)11-9(4)12(15-10(11)5)14(17)18-7-2/h8,15H,6-7H2,1-5H3
InChIKey APIUJVLAHOXRKN-UHFFFAOYSA-N
Molecular Weight 251.326 g/mol
SMILES [nH]1c(c(c(c1C)C(=O)C(CC)C)C)C(=O)OCC
SPLASH splash10-0005-1910000000-d601812e80605f8254e0
Source of Spectrum AD-0-2532-0
Wiley ID 1430014