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Zomepirac ME
SpectraBase Compound ID LcY1XASltiK
InChI InChI=1S/C16H16ClNO3/c1-10-8-13(9-14(19)21-3)18(2)15(10)16(20)11-4-6-12(17)7-5-11/h4-8H,9H2,1-3H3
InChIKey YAYWCDAUKRECGZ-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 JoTduZkXfvv
Name 1H-Pyrrole-2-acetic acid, 5-(4-chlorobenzoyl)-1,4-dimethyl-, methyl ester
Alternate Name(s) 2-[5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]acetic acid methyl ester 2-[5-[(4-chlorophenyl)-oxomethyl]-1,4-dimethyl-2-pyrrolyl]acetic acid methyl ester Methyl 2-[5-(4-chlorobenzoyl)-1,4-dimethyl-pyrrol-2-yl]acetate Methyl 2-[5-(4-chlorophenyl)carbonyl-1,4-dimethyl-pyrrol-2-yl]ethanoate Zomepirac methyl derivative
CAS Registry Number 80769-52-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16ClNO3
InChI InChI=1S/C16H16ClNO3/c1-10-8-13(9-14(19)21-3)18(2)15(10)16(20)11-4-6-12(17)7-5-11/h4-8H,9H2,1-3H3
InChIKey YAYWCDAUKRECGZ-UHFFFAOYSA-N
Molecular Weight 305.761 g/mol
SMILES c1([n](c(CC(=O)OC)cc1C)C)C(c1ccc(cc1)Cl)=O
SPLASH splash10-052b-1395000000-5d506ebe3e717e5acfeb
Source of Spectrum CJ-1992-0-0
Wiley ID 1307251