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Ethyl 4-(4-bromobenzoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
SpectraBase Compound ID 3mqD4cETzki
InChI InChI=1S/C16H16BrNO3/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 HSLRFAZLGYLJKU-UHFFFAOYSA-N
Mol Weight 350.21 g/mol
Molecular Formula C16H16BrNO3
Exact Mass 349.031356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzxtSiaJTBw
Name Ethyl 4-(4-bromobenzoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Alternate Name(s) 4-(4-bromobenzoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester 4-[(4-bromophenyl)-oxomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Ethyl 4-(4-bromophenyl)carbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Pyrrole-2-carboxylic acid, 4-(4-bromobenzoyl)-3,5-dimethyl-, ethyl ester
CAS Registry Number 329718-18-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16BrNO3
InChI InChI=1S/C16H16BrNO3/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 HSLRFAZLGYLJKU-UHFFFAOYSA-N
Molecular Weight 350.212 g/mol
SMILES [nH]1c(c(c(c1C)C(c1ccc(cc1)Br)=O)C)C(=O)OCC
SPLASH splash10-0uka-4859000000-1593447f114c69dae9c9
Source of Spectrum AD-0-2532-0
Wiley ID 1429975