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Ethyl 3,5-dimethyl-4-(3-methylbutanoyl)-1H-pyrrole-2-carboxylate
SpectraBase Compound ID A0wy2OXu0nu
InChI InChI=1S/C14H21NO3/c1-6-18-14(17)13-9(4)12(10(5)15-13)11(16)7-8(2)3/h8,15H,6-7H2,1-5H3
InChIKey FOHVZZUTSSEVEO-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 5qWVkiJwpyK
Name Ethyl 3,5-dimethyl-4-(3-methylbutanoyl)-1H-pyrrole-2-carboxylate
Alternate Name(s) 3,5-Dimethyl-4-(3-methyl-1-oxobutyl)-1H-pyrrole-2-carboxylic acid ethyl ester 4-isovaleryl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Pyrrole-2-carboxylic acid, 3,5-dimethyl-4-(3-methyl-1-oxobutyl)-, ethyl ester
CAS Registry Number 63485-59-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO3
InChI InChI=1S/C14H21NO3/c1-6-18-14(17)13-9(4)12(10(5)15-13)11(16)7-8(2)3/h8,15H,6-7H2,1-5H3
InChIKey FOHVZZUTSSEVEO-UHFFFAOYSA-N
Molecular Weight 251.326 g/mol
SMILES [nH]1c(c(c(c1C)C(CC(C)C)=O)C)C(=O)OCC
SPLASH splash10-0005-2920000000-92dfe35fccc0cb985f80
Source of Spectrum AD-0-2532-0
Wiley ID 1430043