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Bicyclo[3.1.1]heptane, 6-(phenylthio)-, (1.alpha.,5.alpha.,6.beta.)-
SpectraBase Compound ID BY66L4U1j62
InChI InChI=1S/C13H16S/c1-2-7-12(8-3-1)14-13-10-5-4-6-11(13)9-10/h1-3,7-8,10-11,13H,4-6,9H2/t10-,11+,13-
InChIKey PZLHRAHGCRANOL-PTEHBNRSSA-N
Mol Weight 204.33 g/mol
Molecular Formula C13H16S
Exact Mass 204.097272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4X6KEcPrn9l
Name Bicyclo[3.1.1]heptane, 6-(phenylthio)-, (1.alpha.,5.alpha.,6.beta.)-
CAS Registry Number 67079-31-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16S
InChI InChI=1S/C13H16S/c1-2-7-12(8-3-1)14-13-10-5-4-6-11(13)9-10/h1-3,7-8,10-11,13H,4-6,9H2/t10-,11+,13-
InChIKey PZLHRAHGCRANOL-PTEHBNRSSA-N
Molecular Weight 204.331 g/mol
SMILES [C@]1([C@]2(CCC[C@@]1(C2)[H])[H])(Sc1ccccc1)[H]
SPLASH splash10-000i-0930000000-3c93089cef6a9a593334
Source of Spectrum K-111-1933-0
Synonyms (1R,5S)-6-(phenylsulfanyl)bicyclo[3.1.1]heptane (1R,5S)-bicyclo[3.1.1]hept-6-yl phenyl sulfide 6-endo-(phenylthio)norpinane
Wiley ID 1202181