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1H-Inden-1-one, 2,3-dihydro-2-methyl-3-[(phenylmethyl)thio]-, trans-
SpectraBase Compound ID EyZVr2ED0k3
InChI InChI=1S/C17H16OS/c1-12-16(18)14-9-5-6-10-15(14)17(12)19-11-13-7-3-2-4-8-13/h2-10,12,17H,11H2,1H3/t12-,17+/m0/s1
InChIKey GKLHVITXDLHVOQ-YVEFUNNKSA-N
Mol Weight 268.37 g/mol
Molecular Formula C17H16OS
Exact Mass 268.092186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K8Ii0JCYkCa
Name 1H-Inden-1-one, 2,3-dihydro-2-methyl-3-[(phenylmethyl)thio]-, trans-
CAS Registry Number 130169-35-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16OS
InChI InChI=1S/C17H16OS/c1-12-16(18)14-9-5-6-10-15(14)17(12)19-11-13-7-3-2-4-8-13/h2-10,12,17H,11H2,1H3/t12-,17+/m0/s1
InChIKey GKLHVITXDLHVOQ-YVEFUNNKSA-N
Molecular Weight 268.374 g/mol
SMILES C1([C@@]([C@@](SCc2ccccc2)(c2c1cccc2)[H])(C)[H])=O
SPLASH splash10-00ke-4940000000-83778dbf049a013be611
Source of Spectrum K-123-1373-5
Synonyms (2S,3R)-3-(benzylsulfanyl)-2-methyl-2,3-dihydro-1H-inden-1-one t-3-(benzylthio)-r-2-methyl-1-indanone
Wiley ID 1272460