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Bicyclo[4.1.0]heptane, 7,7-bis(phenylthio)-
SpectraBase Compound ID 1P3wavenFJV
InChI InChI=1S/C19H20S2/c1-3-9-15(10-4-1)20-19(17-13-7-8-14-18(17)19)21-16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2
InChIKey ZOJXMMAIBOZHSL-UHFFFAOYSA-N
Mol Weight 312.49 g/mol
Molecular Formula C19H20S2
Exact Mass 312.100643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1rVLoQ8Dxb9
Name Bicyclo[4.1.0]heptane, 7,7-bis(phenylthio)-
Alternate Name(s) 7,7-bis(phenylsulfanyl)bicyclo[4.1.0]heptane 7,7-Bis(phenylthio)norcarane 7,7-bis(phenylthio)bicyclo[4.1.0]heptane
CAS Registry Number 58681-16-6
Comments Less than 3 mono-isotopic peaks
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Formula C19H20S2
InChI InChI=1S/C19H20S2/c1-3-9-15(10-4-1)20-19(17-13-7-8-14-18(17)19)21-16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2
InChIKey ZOJXMMAIBOZHSL-UHFFFAOYSA-N
Molecular Weight 312.489 g/mol
SMILES C1(C2CCCCC12)(Sc1ccccc1)Sc1ccccc1
SPLASH splash10-0udi-0091000000-3960b3d711e2177884c4
Source of Spectrum J-51-610-2
Wiley ID 1313530