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4,7-Epoxy-1H-indene, 3a,4,5,6,7,7a-hexahydro-1,7-dimethyl-6-(phenylthio)-, (1.alpha.,3a.alpha.,4.beta.,6.alpha.,7.beta.,7a.alpha.)-(.+-.)-
SpectraBase Compound ID EmTlWjhg0Cf
InChI InChI=1S/C17H20OS/c1-11-8-9-13-14-10-15(17(2,18-14)16(11)13)19-12-6-4-3-5-7-12/h3-9,11,13-16H,10H2,1-2H3/t11-,13+,14+,15+,16+,17-/m1/s1
InChIKey FBBXBVBWELNSEJ-ORAJLSJDSA-N
Mol Weight 272.41 g/mol
Molecular Formula C17H20OS
Exact Mass 272.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HkxKFEp6Dj1
Name 4,7-Epoxy-1H-indene, 3a,4,5,6,7,7a-hexahydro-1,7-dimethyl-6-(phenylthio)-, (1.alpha.,3a.alpha.,4.beta.,6.alpha.,7.beta.,7a.alpha.)-(.+-.)-
CAS Registry Number 117626-62-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20OS
InChI InChI=1S/C17H20OS/c1-11-8-9-13-14-10-15(17(2,18-14)16(11)13)19-12-6-4-3-5-7-12/h3-9,11,13-16H,10H2,1-2H3/t11-,13+,14+,15+,16+,17-/m1/s1
InChIKey FBBXBVBWELNSEJ-ORAJLSJDSA-N
Molecular Weight 272.406 g/mol
SMILES [C@]12(O[C@]([H])([C@]3([C@@]2([C@@](C=C3)(C)[H])[H])[H])C[C@@]1(Sc1ccccc1)[H])C
SPLASH splash10-01vk-0930000000-904dfb429d588965f867
Source of Spectrum J-54-96-21
Synonyms (1S,2R,5R,6S,7S,8S)-5,7-dimethyl-10-oxatricyclo[5.2.1.0(2,6)]dec-3-en-8-yl phenyl sulfide (1S,2R,5R,6S,7S,8S)-5,7-dimethyl-8-(phenylsulfanyl)-10-oxatricyclo[5.2.1.0(2,6)]dec-3-ene
Wiley ID 1276420