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2-(S)-Methylbenzyl-4-ethoxyvinyl-1,2-isothiazole-3-one
SpectraBase Compound ID 5LGZT0zqLDP
InChI InChI=1S/C15H17NO2S/c1-4-18-12(3)14-10-19-16(15(14)17)11(2)13-8-6-5-7-9-13/h5-11H,3-4H2,1-2H3/t11-/m0/s1
InChIKey XGCLKZRRUZIALP-NSHDSACASA-N
Mol Weight 275.37 g/mol
Molecular Formula C15H17NO2S
Exact Mass 275.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3HgIvx3ag9C
Name 2-(S)-Methylbenzyl-4-ethoxyvinyl-1,2-isothiazole-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO2S
InChI InChI=1S/C15H17NO2S/c1-4-18-12(3)14-10-19-16(15(14)17)11(2)13-8-6-5-7-9-13/h5-11H,3-4H2,1-2H3/t11-/m0/s1
InChIKey XGCLKZRRUZIALP-NSHDSACASA-N
Molecular Weight 275.366 g/mol
SMILES C1(N(SC=C1C(=C)OCC)[C@](c1ccccc1)(C)[H])=O
SPLASH splash10-0a4i-2900000000-e821829665aaa1dd9db5
Source of Spectrum F-55-12323-10
Synonyms 4-(1-Ethoxyvinyl)-2-[(1S)-1-phenylethyl]-3(2H)-isothiazolone
Wiley ID 839482