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2-[(1S)-1-phenylethyl]-4-(2-phenylethynyl)-1,2-thiazol-3-one
SpectraBase Compound ID KOKaFfZnV2
InChI InChI=1S/C19H15NOS/c1-15(17-10-6-3-7-11-17)20-19(21)18(14-22-20)13-12-16-8-4-2-5-9-16/h2-11,14-15H,1H3/t15-/m0/s1
InChIKey RWZJRGYKRXACEB-HNNXBMFYSA-N
Mol Weight 305.4 g/mol
Molecular Formula C19H15NOS
Exact Mass 305.087435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMNIHPKhsv6
Name 2-[(1S)-1-phenylethyl]-4-(2-phenylethynyl)-1,2-thiazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H15NOS
InChI InChI=1S/C19H15NOS/c1-15(17-10-6-3-7-11-17)20-19(21)18(14-22-20)13-12-16-8-4-2-5-9-16/h2-11,14-15H,1H3/t15-/m0/s1
InChIKey RWZJRGYKRXACEB-HNNXBMFYSA-N
Molecular Weight 305.395 g/mol
SMILES C1(N(SC=C1C#Cc1ccccc1)[C@](c1ccccc1)(C)[H])=O
SPLASH splash10-0udi-4293000000-328664b8e4fa6bcc7ce2
Source of Spectrum F-55-12324-12
Synonyms 2-[(1S)-1-phenylethyl]-4-(2-phenylethynyl)-3-isothiazolone 2-[(1S)-1-phenylethyl]-4-(2-phenylethynyl)-4-isothiazolin-3-one 2-[(1S)-1-phenylethyl]-4-(2-phenylethynyl)isothiazol-3-one
Wiley ID 839480