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1,3-Benzoxathiole-2-acetic acid, 2-phenyl-, methyl ester

View entire compound with spectra: 1 MS (GC)

1,3-Benzoxathiole-2-acetic acid, 2-phenyl-, methyl ester
SpectraBase Compound ID 7oUcbYuuNX3
InChI InChI=1S/C16H14O3S/c1-18-15(17)11-16(12-7-3-2-4-8-12)19-13-9-5-6-10-14(13)20-16/h2-10H,11H2,1H3
InChIKey BDGKTSHKOHMABA-UHFFFAOYSA-N
Mol Weight 286.35 g/mol
Molecular Formula C16H14O3S
Exact Mass 286.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID oA1AfhFoY3
Name 1,3-Benzoxathiole-2-acetic acid, 2-phenyl-, methyl ester
CAS Registry Number 62675-18-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O3S
InChI InChI=1S/C16H14O3S/c1-18-15(17)11-16(12-7-3-2-4-8-12)19-13-9-5-6-10-14(13)20-16/h2-10H,11H2,1H3
InChIKey BDGKTSHKOHMABA-UHFFFAOYSA-N
Molecular Weight 286.345 g/mol
SMILES C1(Sc2ccccc2O1)(CC(=O)OC)c1ccccc1
SPLASH splash10-03dr-1190000000-b9dfb97e5a17217b422c
Source of Spectrum Y-26-517-3
Synonyms 2-(2-phenyl-1,3-benzoxathiol-2-yl)acetic acid methyl ester Methyl 2-(2-phenyl-1,3-benzoxathiol-2-yl)acetate Methyl 2-(2-phenyl-1,3-benzoxathiol-2-yl)ethanoate
Wiley ID 1289760