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Tricyclo[4.1.1.0(2,5)]octane, 7-(phenylthio)-, (1.alpha.,2.beta.,5.beta.,6.alpha.,7.beta.)-
SpectraBase Compound ID cKHBe37QLq
InChI InChI=1S/C14H16S/c1-2-4-9(5-3-1)15-14-12-8-13(14)11-7-6-10(11)12/h1-5,10-14H,6-8H2/t10?,11?,12-,13+,14+
InChIKey AWUBLHFTOLLFIO-TWASESMYSA-N
Mol Weight 216.34 g/mol
Molecular Formula C14H16S
Exact Mass 216.097272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4AiuGvtDa9T
Name Tricyclo[4.1.1.0(2,5)]octane, 7-(phenylthio)-, (1.alpha.,2.beta.,5.beta.,6.alpha.,7.beta.)-
CAS Registry Number 70938-91-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16S
InChI InChI=1S/C14H16S/c1-2-4-9(5-3-1)15-14-12-8-13(14)11-7-6-10(11)12/h1-5,10-14H,6-8H2/t10?,11?,12-,13+,14+
InChIKey AWUBLHFTOLLFIO-TWASESMYSA-N
Molecular Weight 216.342 g/mol
SMILES [C@]1([C@]2(C3CCC3[C@@]1(C2)[H])[H])(Sc1ccccc1)[H]
SPLASH splash10-0bt9-0900000000-8a50a97bc88f7a8f031b
Source of Spectrum K-112-2019-0
Synonyms 7-(Phenylsulfanyl)tricyclo[4.1.1.0(2,5)]octane 7-endo-(phenylthio)-exo-tricyclo[4.1.1.0(2,5)]octane phenyl tricyclo[4.1.1.0(2,5)]oct-7-yl sulfide
Wiley ID 1215951