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(1S,2R)-3-Amino-2-methyl-1-[1-(phenylthio)cyclohexyl]propan-1-ol
SpectraBase Compound ID 7druvm92eOj
InChI InChI=1S/C16H25NOS/c1-13(12-17)15(18)16(10-6-3-7-11-16)19-14-8-4-2-5-9-14/h2,4-5,8-9,13,15,18H,3,6-7,10-12,17H2,1H3/t13-,15+/m1/s1
InChIKey NNILFIMIACJLBU-HIFRSBDPSA-N
Mol Weight 279.44 g/mol
Molecular Formula C16H25NOS
Exact Mass 279.165686 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5uTcZuEU3Yo
Name (1S,2R)-3-Amino-2-methyl-1-[1-(phenylthio)cyclohexyl]propan-1-ol
Alternate Name(s) (1S,2R)-3-amino-2-methyl-1-[1-(phenylsulfanyl)cyclohexyl]-1-propanol syn-(1RS,2RS)-3-Amino-2-methyl-1-[1-(phenylthio)cyclohexyl]popan-1-ol
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Formula C16H25NOS
InChI InChI=1S/C16H25NOS/c1-13(12-17)15(18)16(10-6-3-7-11-16)19-14-8-4-2-5-9-14/h2,4-5,8-9,13,15,18H,3,6-7,10-12,17H2,1H3/t13-,15+/m1/s1
InChIKey NNILFIMIACJLBU-HIFRSBDPSA-N
Molecular Weight 279.442 g/mol
SMILES NC[C@]([C@@](C1(Sc2ccccc2)CCCCC1)(O)[H])(C)[H]
SPLASH splash10-01p9-9700000000-f8328b23cdd86a8bdd46
Source of Spectrum KC-1993-1645-9
Wiley ID 778359