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(R1,R2,RS)-1-Hydroxy-2-[(4-methylphenyl)sulfinyl]cyclohexanecarbonitrile
SpectraBase Compound ID 24rbWtesB5Q
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-LPOUJYBBSA-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 G1Dfybi0N5j
Name (R1,R2,RS)-1-Hydroxy-2-[(4-methylphenyl)sulfinyl]cyclohexanecarbonitrile
Alternate Name(s) (1R,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-LPOUJYBBSA-N
Molecular Weight 263.355 g/mol
SMILES O[C@@]1([C@](S(c2ccc(cc2)C)=O)(CCCC1)[H])C#N
SPLASH splash10-0006-9710000000-804dd2e8af177c42254d
Source of Spectrum F-50-7577-3
Wiley ID 1266827