For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-Isothiazolecarboxylic acid, 3-phenyl-, methyl ester
SpectraBase Compound ID HY242VNBHDG
InChI InChI=1S/C11H9NO2S/c1-14-11(13)9-7-15-12-10(9)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey VVARSNHPCGRNDO-UHFFFAOYSA-N
Mol Weight 219.26 g/mol
Molecular Formula C11H9NO2S
Exact Mass 219.0354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Dt16vvweDe9
Name 4-Isothiazolecarboxylic acid, 3-phenyl-, methyl ester
CAS Registry Number 21905-48-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9NO2S
InChI InChI=1S/C11H9NO2S/c1-14-11(13)9-7-15-12-10(9)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey VVARSNHPCGRNDO-UHFFFAOYSA-N
Molecular Weight 219.258 g/mol
SMILES COC(c1csnc1-c1ccccc1)=O
SPLASH splash10-0fri-9660000000-8828cfdbb1fb8f99a934
Source of Spectrum T-68-2109-0
Synonyms Methyl 3-phenyl-4-isothiazolecarboxylate 3-Phenyl-4-isothiazolecarboxylic acid methyl ester 3-Phenylisothiazole-4-carboxylic acid methyl ester Methyl 3-phenyl-1,2-thiazole-4-carboxylate Methyl 3-phenylisothiazole-4-carboxylate
Wiley ID 28073