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Bicyclo[1.1.1]pent-1-yl(o-tolyl)sulfane
SpectraBase Compound ID 7T0cmUSE9u5
InChI InChI=1S/C12H14S/c1-9-4-2-3-5-11(9)13-12-6-10(7-12)8-12/h2-5,10H,6-8H2,1H3
InChIKey RFLLHTVEIIZFBB-UHFFFAOYSA-N
Mol Weight 190.3 g/mol
Molecular Formula C12H14S
Exact Mass 190.081622 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERHIBlpelH5
Name Bicyclo[1.1.1]pent-1-yl(o-tolyl)sulfane
Appearance Pale yellow liquid
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Exact Mass 190.081621625 u
Formula C12H14S
InChI InChI=1S/C12H14S/c1-9-4-2-3-5-11(9)13-12-6-10(7-12)8-12/h2-5,10H,6-8H2,1H3
InChIKey RFLLHTVEIIZFBB-UHFFFAOYSA-N
Instrument Name Finnigan-MAT-95
Ionization Type EI
Literature Reference DOI 10.1002/chem.201704105
Molecular Weight 190.304 g/mol
Quality 171
Reported Formula C12H14(32)S
SMILES C1(=C(C=CC=C1)C)SC12CC(C2)C1
SPLASH splash10-0002-3900000000-82adf3978807ec222d1a
Source of Spectrum QE-24-1378-7h (DOI: 10.1002/chem.201704105)
Wiley ID 1900337