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(2R,3S)-N-{3-Hydroxy-2-methyl-3-[1-(phenylthio)cyclohexyl]propyl}acetamide
SpectraBase Compound ID Fu9e9CBdO4y
InChI InChI=1S/C18H27NO2S/c1-14(13-19-15(2)20)17(21)18(11-7-4-8-12-18)22-16-9-5-3-6-10-16/h3,5-6,9-10,14,17,21H,4,7-8,11-13H2,1-2H3,(H,19,20)/t14-,17+/m1/s1
InChIKey QARICYRPCNSDTB-PBHICJAKSA-N
Mol Weight 321.48 g/mol
Molecular Formula C18H27NO2S
Exact Mass 321.17625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1DCe62Wu6eo
Name (2R,3S)-N-{3-Hydroxy-2-methyl-3-[1-(phenylthio)cyclohexyl]propyl}acetamide
Alternate Name(s) N-{(2R,3S)-3-hydroxy-2-methyl-3-[1-(phenylsulfanyl)cyclohexyl]propyl}acetamide syn-(2RS,3SR)-N-{3-Hydroxy-2-methyl-3-[1-(phenylthio)cyclohexyl]propyl}acetamide
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Formula C18H27NO2S
InChI InChI=1S/C18H27NO2S/c1-14(13-19-15(2)20)17(21)18(11-7-4-8-12-18)22-16-9-5-3-6-10-16/h3,5-6,9-10,14,17,21H,4,7-8,11-13H2,1-2H3,(H,19,20)/t14-,17+/m1/s1
InChIKey QARICYRPCNSDTB-PBHICJAKSA-N
Molecular Weight 321.479 g/mol
SMILES N(C(=O)C)C[C@]([C@@](C1(Sc2ccccc2)CCCCC1)(O)[H])(C)[H]
SPLASH splash10-001i-3900000000-6bcac0fb22ab74735c00
Source of Spectrum KC-1993-1647-17
Wiley ID 778347