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Cyclohexanecarboxylic acid, [3-(2-cyclohexylsulfanylacetyl)phenyl]amide
SpectraBase Compound ID BbWoi4qIRF4
InChI InChI=1S/C21H29NO2S/c23-20(15-25-19-12-5-2-6-13-19)17-10-7-11-18(14-17)22-21(24)16-8-3-1-4-9-16/h7,10-11,14,16,19H,1-6,8-9,12-13,15H2,(H,22,24)
InChIKey MTOKXQAPURAYDD-UHFFFAOYSA-N
Mol Weight 359.53 g/mol
Molecular Formula C21H29NO2S
Exact Mass 359.1919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Ump0vVjlks
Name Cyclohexanecarboxylic acid, [3-(2-cyclohexylsulfanylacetyl)phenyl]amide
Alternate Name(s) N-[3-(2-cyclohexylsulfanylacetyl)phenyl]cyclohexanecarboxamide N-[3-(2-cyclohexylsulfanylethanoyl)phenyl]cyclohexanecarboxamide N-[3-[2-(cyclohexylthio)-1-oxoethyl]phenyl]cyclohexanecarboxamide N-[3-[2-(cyclohexylthio)acetyl]phenyl]cyclohexanecarboxamide
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Formula C21H29NO2S
InChI InChI=1S/C21H29NO2S/c23-20(15-25-19-12-5-2-6-13-19)17-10-7-11-18(14-17)22-21(24)16-8-3-1-4-9-16/h7,10-11,14,16,19H,1-6,8-9,12-13,15H2,(H,22,24)
InChIKey MTOKXQAPURAYDD-UHFFFAOYSA-N
Molecular Weight 359.528 g/mol
SMILES N(C(=O)C1CCCCC1)c1cc(C(CSC2CCCCC2)=O)ccc1
SPLASH splash10-0541-9240000000-6c6f1d6787f3eb810a1e
Wiley ID 1447884