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(1S)-10-[(2-Cyanoethyl)thio]isoborneol
SpectraBase Compound ID KJf2W50NLTW
InChI InChI=1S/C13H21NOS/c1-12(2)10-4-5-13(12,11(15)8-10)9-16-7-3-6-14/h10-11,15H,3-5,7-9H2,1-2H3/t10-,11-,13-/m0/s1
InChIKey QYDZOKHDSSQAFQ-GVXVVHGQSA-N
Mol Weight 239.38 g/mol
Molecular Formula C13H21NOS
Exact Mass 239.134385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HU7VToLK4XF
Name (1S)-10-[(2-Cyanoethyl)thio]isoborneol
Alternate Name(s) 3-({[(1S)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl]methyl}sulfanyl)propanenitrile
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Formula C13H21NOS
InChI InChI=1S/C13H21NOS/c1-12(2)10-4-5-13(12,11(15)8-10)9-16-7-3-6-14/h10-11,15H,3-5,7-9H2,1-2H3/t10-,11-,13-/m0/s1
InChIKey QYDZOKHDSSQAFQ-GVXVVHGQSA-N
Molecular Weight 239.377 g/mol
SMILES O[C@@]1([C@@]2(C([C@@](CC2)(C1)[H])(C)C)CSCCC#N)[H]
SPLASH splash10-0a4i-0910000000-a6ffd9d46bce3ced6dcb
Source of Spectrum J-62-4382-6
Wiley ID 1241913