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(S)-3-(4-(methylthio)benzyl)isobenzofuran-1(3H)-one
SpectraBase Compound ID Dv7m9ZGilqV
InChI InChI=1S/C16H14O2S/c1-19-12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)16(17)18-15/h2-9,15H,10H2,1H3/t15-/m0/s1
InChIKey OKRRADHIBUQIFK-HNNXBMFYSA-N
Mol Weight 270.35 g/mol
Molecular Formula C16H14O2S
Exact Mass 270.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DwC7VNcuLpr
Name (S)-3-(4-(methylthio)benzyl)isobenzofuran-1(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O2S
InChI InChI=1S/C16H14O2S/c1-19-12-8-6-11(7-9-12)10-15-13-4-2-3-5-14(13)16(17)18-15/h2-9,15H,10H2,1H3/t15-/m0/s1
InChIKey OKRRADHIBUQIFK-HNNXBMFYSA-N
Literature Reference DOI 10.1021/ol901674k
Molecular Weight 270.346 g/mol
SMILES c1cc2C(=O)O[C@@](Cc3ccc(cc3)SC)(c2cc1)[H]
SPLASH splash10-000i-1900000000-752c7926460bb4fe3c09
Source of Spectrum A1-11-4712/SM18-2i
Synonyms (3S)-3-[[4-(methylthio)phenyl]methyl]-3H-isobenzofuran-1-one (3S)-3-[(4-methylsulfanylphenyl)methyl]-3H-isobenzofuran-1-one (3S)-3-[(4-methylsulfanylphenyl)methyl]-3H-2-benzofuran-1-one
Wiley ID 1757430