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(S1,R2,RS)-1-Hydroxy-2-[(4-methylphenyl)sulfinyl]cyclohexanecarbonitrile
SpectraBase Compound ID CkyUep78iHm
InChI InChI=1S/C14H17NO2S/c1-11-5-7-12(8-6-11)18(17)13-4-2-3-9-14(13,16)10-15/h5-8,13,16H,2-4,9H2,1H3/t13-,14+,18?/m1/s1
InChIKey GKWFVJFCECAQAX-RMAOKOMNSA-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 Lc5YAm4MMKq
Name (S1,R2,RS)-1-Hydroxy-2-[(4-methylphenyl)sulfinyl]cyclohexanecarbonitrile
Alternate Name(s) (1S,2R)-1-hydroxy-2-[(4-methylphenyl)sulfinyl]cyclohexanecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO2S
InChI InChI=1S/C14H17NO2S/c1-11-5-7-12(8-6-11)18(17)13-4-2-3-9-14(13,16)10-15/h5-8,13,16H,2-4,9H2,1H3/t13-,14+,18?/m1/s1
InChIKey GKWFVJFCECAQAX-RMAOKOMNSA-N
Molecular Weight 263.355 g/mol
SMILES O[C@]1([C@](S(c2ccc(cc2)C)=O)(CCCC1)[H])C#N
SPLASH splash10-0006-7900000000-edd4631335a4c2366882
Source of Spectrum F-50-7576-3
Wiley ID 1266828