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trans-1-Cyano-2-p-toluenesulfonylcyclohexane
SpectraBase Compound ID G4NsOcotN3j
InChI InChI=1S/C14H17NO2S/c1-11-6-8-13(9-7-11)18(16,17)14-5-3-2-4-12(14)10-15/h6-9,12,14H,2-5H2,1H3/t12-,14+/m0/s1
InChIKey SJCUWCJMYYYAQI-GXTWGEPZSA-N
Mol Weight 263.35 g/mol
Molecular Formula C14H17NO2S
Exact Mass 263.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ApusfIrg4sS
Name trans-1-Cyano-2-p-toluenesulfonylcyclohexane
Alternate Name(s) (1S,2R)-2-[(4-methylphenyl)sulfonyl]cyclohexanecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO2S
InChI InChI=1S/C14H17NO2S/c1-11-6-8-13(9-7-11)18(16,17)14-5-3-2-4-12(14)10-15/h6-9,12,14H,2-5H2,1H3/t12-,14+/m0/s1
InChIKey SJCUWCJMYYYAQI-GXTWGEPZSA-N
Molecular Weight 263.355 g/mol
SMILES [C@@]1(S(c2ccc(cc2)C)(=O)=O)([C@](C#N)(CCCC1)[H])[H]
SPLASH splash10-0a4i-0900000000-b4bc73ed990440201a69
Source of Spectrum F-48-2624-0
Wiley ID 1266826