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(1S,2R)-3-Benzylamino-2-methyl-1-[1-(phenylthio)cyclohexyl]propan-1-ol
SpectraBase Compound ID ZoDdhO5wr8
InChI InChI=1S/C23H31NOS/c1-19(17-24-18-20-11-5-2-6-12-20)22(25)23(15-9-4-10-16-23)26-21-13-7-3-8-14-21/h2-3,5-8,11-14,19,22,24-25H,4,9-10,15-18H2,1H3/t19-,22+/m1/s1
InChIKey DROGUTUEBKYNDE-KNQAVFIVSA-N
Mol Weight 369.57 g/mol
Molecular Formula C23H31NOS
Exact Mass 369.212636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28O5d8VFU9Z
Name (1S,2R)-3-Benzylamino-2-methyl-1-[1-(phenylthio)cyclohexyl]propan-1-ol
Alternate Name(s) (1S,2R)-3-(benzylamino)-2-methyl-1-[1-(phenylsulfanyl)cyclohexyl]-1-propanol syn-(1RS,2SR)-3-Benzylamino-2-methyl-1-[1-(phenylthio)cyclohexyl]popan-1-ol syn-(2RS,3SR)-3-Benzylamino-2-methyl-1-[1-(phenylthio)cyclohexyl]popan-1-ol
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Formula C23H31NOS
InChI InChI=1S/C23H31NOS/c1-19(17-24-18-20-11-5-2-6-12-20)22(25)23(15-9-4-10-16-23)26-21-13-7-3-8-14-21/h2-3,5-8,11-14,19,22,24-25H,4,9-10,15-18H2,1H3/t19-,22+/m1/s1
InChIKey DROGUTUEBKYNDE-KNQAVFIVSA-N
Molecular Weight 369.567 g/mol
SMILES N(C[C@]([C@@](C1(Sc2ccccc2)CCCCC1)(O)[H])(C)[H])Cc1ccccc1
SPLASH splash10-006x-5900000000-b06b37a12ac9e0ba88c4
Source of Spectrum KC-1993-1645-11
Wiley ID 778355