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Bicyclo[2.2.1]heptane, 2-[(4-methylphenyl)sulfinyl]-, [1.alpha.,2.alpha.(R*),4.alpha.]-
SpectraBase Compound ID InVxOAI2WJN
InChI InChI=1S/C14H18OS/c1-10-2-6-13(7-3-10)16(15)14-9-11-4-5-12(14)8-11/h2-3,6-7,11-12,14H,4-5,8-9H2,1H3/t11-,12+,14+,16?/m0/s1
InChIKey HFKRCBKBLDAFCZ-RUXLSVNZSA-N
Mol Weight 234.36 g/mol
Molecular Formula C14H18OS
Exact Mass 234.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5ZGeH7Mklr
Name Bicyclo[2.2.1]heptane, 2-[(4-methylphenyl)sulfinyl]-, [1.alpha.,2.alpha.(S*),4.alpha.]-
Alternate Name(s) (1R,2R,4S)-2-[(4-methylphenyl)sulfinyl]bicyclo[2.2.1]heptane (1R,2R,4S)-bicyclo[2.2.1]hept-2-yl 4-methylphenyl sulfoxide Isomer of exo-2-p-tolylsulfinylnorbornane
CAS Registry Number 83473-07-8
Comments Less than 3 mono-isotopic peaks
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Formula C14H18OS
InChI InChI=1S/C14H18OS/c1-10-2-6-13(7-3-10)16(15)14-9-11-4-5-12(14)8-11/h2-3,6-7,11-12,14H,4-5,8-9H2,1H3/t11-,12+,14+,16?/m0/s1
InChIKey HFKRCBKBLDAFCZ-RUXLSVNZSA-N
Molecular Weight 234.357 g/mol
SMILES [C@@]1([S@@](c2ccc(cc2)C)=O)([C@]2(C[C@@](C1)(CC2)[H])[H])[H]
SPLASH splash10-0002-9000000000-55f05e179a57cf7affca
Source of Spectrum B-35-996-0
Wiley ID 1236049