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Isoxazole-3-carboxylic acid, 5-p-tolyl-, methyl ester

View entire compound with spectra: 1 MS (GC)

Isoxazole-3-carboxylic acid, 5-p-tolyl-, methyl ester
SpectraBase Compound ID 7xqVKoUTECL
InChI InChI=1S/C12H11NO3/c1-8-3-5-9(6-4-8)11-7-10(13-16-11)12(14)15-2/h3-7H,1-2H3
InChIKey XUONPUJASNHQGZ-UHFFFAOYSA-N
Mol Weight 217.22 g/mol
Molecular Formula C12H11NO3
Exact Mass 217.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8n6xGO2l2dm
Name Isoxazole-3-carboxylic acid, 5-p-tolyl-, methyl ester
Alternate Name(s) 5-(4-Methylphenyl)-3-isoxazolecarboxylic acid methyl ester 5-(p-tolyl)isoxazole-3-carboxylic acid methyl ester Methyl 5-(4-methylphenyl)-1,2-oxazole-3-carboxylate Methyl 5-(p-tolyl)isoxazole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO3
InChI InChI=1S/C12H11NO3/c1-8-3-5-9(6-4-8)11-7-10(13-16-11)12(14)15-2/h3-7H,1-2H3
InChIKey XUONPUJASNHQGZ-UHFFFAOYSA-N
Molecular Weight 217.224 g/mol
SMILES Cc1ccc(-c2cc(C(=O)OC)no2)cc1
SPLASH splash10-066r-9310000000-dbbe4d298368c8f5a54b
Wiley ID 1447584