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(S*1,S*2,RS*)-1-Hydroxy-2-[(4-methylphenyl)sulfinyl]cyclopentanecarbonitrile
SpectraBase Compound ID H2rTCRK0dgI
InChI InChI=1S/C13H15NO2S/c1-10-4-6-11(7-5-10)17(16)12-3-2-8-13(12,15)9-14/h4-7,12,15H,2-3,8H2,1H3/t12?,13-,17?/m0/s1
InChIKey CUMLDBDQRQRRMV-JZLYGMAVSA-N
Mol Weight 249.33 g/mol
Molecular Formula C13H15NO2S
Exact Mass 249.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9nseaCloq9O
Name (S*1,S*2,RS*)-1-Hydroxy-2-[(4-methylphenyl)sulfinyl]cyclopentanecarbonitrile
Alternate Name(s) (1S)-1-hydroxy-2-[(4-methylphenyl)sulfinyl]cyclopentanecarbonitrile
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Formula C13H15NO2S
InChI InChI=1S/C13H15NO2S/c1-10-4-6-11(7-5-10)17(16)12-3-2-8-13(12,15)9-14/h4-7,12,15H,2-3,8H2,1H3/t12?,13-,17?/m0/s1
InChIKey CUMLDBDQRQRRMV-JZLYGMAVSA-N
Molecular Weight 249.328 g/mol
SMILES O[C@]1(C(S(c2ccc(cc2)C)=O)CCC1)C#N
SPLASH splash10-000f-3920000000-accc0f3fa578698b32f6
Source of Spectrum F-50-7577-4
Wiley ID 1252103