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N-[(1R,2R)-2-(phenylthio)cyclohexyl]acetamide
SpectraBase Compound ID 3JlCot84LZL
InChI InChI=1S/C14H19NOS/c1-11(16)15-13-9-5-6-10-14(13)17-12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-10H2,1H3,(H,15,16)/t13-,14-/m1/s1
InChIKey ACBXUZBGFUCFHW-ZIAGYGMSSA-N
Mol Weight 249.37 g/mol
Molecular Formula C14H19NOS
Exact Mass 249.118735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 99XlXUIk6gt
Name N-[(1R,2R)-2-(phenylthio)cyclohexyl]acetamide
Alternate Name(s) N-[(1R,2R)-2-phenylsulfanylcyclohexyl]ethanamide
CAS Registry Number 74491-55-7
Comments Less than 3 mono-isotopic peaks
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Formula C14H19NOS
InChI InChI=1S/C14H19NOS/c1-11(16)15-13-9-5-6-10-14(13)17-12-7-3-2-4-8-12/h2-4,7-8,13-14H,5-6,9-10H2,1H3,(H,15,16)/t13-,14-/m1/s1
InChIKey ACBXUZBGFUCFHW-ZIAGYGMSSA-N
Molecular Weight 249.372 g/mol
SMILES N(C(=O)C)[C@]1([C@](Sc2ccccc2)(CCCC1)[H])[H]
SPLASH splash10-0006-0900000000-db544c47424c1a0f1619
Source of Spectrum KC-1985-1036-1
Wiley ID 1252208