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Tolmetin ME
SpectraBase Compound ID 94ql7BMNlaH
InChI InChI=1S/C16H17NO3/c1-11-4-6-12(7-5-11)16(19)14-9-8-13(17(14)2)10-15(18)20-3/h4-9H,10H2,1-3H3
InChIKey SIXINSDWVSIFEY-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 GGrGCXVzwrq
Name Methyl [1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetate
CAS Registry Number 33369-52-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO3
InChI InChI=1S/C16H17NO3/c1-11-4-6-12(7-5-11)16(19)14-9-8-13(17(14)2)10-15(18)20-3/h4-9H,10H2,1-3H3
InChIKey SIXINSDWVSIFEY-UHFFFAOYSA-N
Molecular Weight 271.316 g/mol
SMILES Cc1ccc(cc1)C(c1ccc(CC(=O)OC)[n]1C)=O
SPLASH splash10-03k9-4490000000-c3065dbdf5dd0109d202
Source of Spectrum JZ-1992-664-0
Synonyms 1H-Pyrrole-2-acetic acid, 1-methyl-5-(4-methylbenzoyl)-, methyl ester 2-(1-Methyl-5-p-toluoyl-pyrrol-2-yl)acetic acid methyl ester 2-[1-methyl-5-[(4-methylphenyl)-oxomethyl]-2-pyrrolyl]acetic acid methyl ester Methyl 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate Methyl 2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetate Methyl 2-[1-methyl-5-(4-methylphenyl)carbonyl-pyrrol-2-yl]ethanoate Tolmetin methyl ester EINECS 251-480-5
Wiley ID 1275338