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Bicyclo[2.2.1]heptane, 2-(phenylthio)-
SpectraBase Compound ID 888i5Kr95Ro
InChI InChI=1S/C13H16S/c1-2-4-12(5-3-1)14-13-9-10-6-7-11(13)8-10/h1-5,10-11,13H,6-9H2/t10-,11+,13-/m0/s1
InChIKey HUSDIFRIEGAOOI-LOWVWBTDSA-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 GdINlyst2Ei
Name Bicyclo[2.2.1]heptane, 2-(phenylthio)-
CAS Registry Number 111731-01-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16S
InChI InChI=1S/C13H16S/c1-2-4-12(5-3-1)14-13-9-10-6-7-11(13)8-10/h1-5,10-11,13H,6-9H2/t10-,11+,13-/m0/s1
InChIKey HUSDIFRIEGAOOI-LOWVWBTDSA-N
Molecular Weight 204.331 g/mol
SMILES [C@]1(Sc2ccccc2)([C@]2(C[C@@](C1)(CC2)[H])[H])[H]
SPLASH splash10-0f6t-9220000000-bb4ece467bd13c2e2f1a
Source of Spectrum F-43-2482-2
Synonyms 2-(Phenylsulfanyl)bicyclo[2.2.1]heptane 2-Phenylthio-bicyclo[2.2.1]heptane bicyclo[2.2.1]hept-2-yl phenyl sulfide
Wiley ID 1202182