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2-Phenyl-4-methyl-isothiazol-3(2H)-one 1,1-dioxide
SpectraBase Compound ID Bli9pX28mBB
InChI InChI=1S/C10H9NO3S/c1-8-7-15(13,14)11(10(8)12)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey OYGGMPVOZGPZBG-UHFFFAOYSA-N
Mol Weight 223.25 g/mol
Molecular Formula C10H9NO3S
Exact Mass 223.030314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14vtTyd3Yuf
Name 2-Phenyl-4-methyl-isothiazol-3(2H)-one 1,1-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NO3S
InChI InChI=1S/C10H9NO3S/c1-8-7-15(13,14)11(10(8)12)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey OYGGMPVOZGPZBG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/prac.19983400411
Molecular Weight 223.246 g/mol
SMILES C=1S(=O)(N(C(C1C)=O)c1ccccc1)=O
SPLASH splash10-00rx-5940000000-d2683164002645b00897
Source of Spectrum JF-340-366-14d
Synonyms 4-Methyl-2-phenylisothiazol-3(2H)-one 1,1-dioxide
Wiley ID 1766576