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1-[(2R,3R)-3-Hydroxy-2-methyl-3-(1-phenylsulfanyl-cyclohexyl)-propyl]-3-phenyl-urea
SpectraBase Compound ID Pf9QVBgX3j
InChI InChI=1S/C23H30N2O2S/c1-18(17-24-22(27)25-19-11-5-2-6-12-19)21(26)23(15-9-4-10-16-23)28-20-13-7-3-8-14-20/h2-3,5-8,11-14,18,21,26H,4,9-10,15-17H2,1H3,(H2,24,25,27)/t18-,21-/m1/s1
InChIKey QIRYVXQKPUPYTE-WIYYLYMNSA-N
Mol Weight 398.57 g/mol
Molecular Formula C23H30N2O2S
Exact Mass 398.202799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 65ICPQpPh2j
Name 1-[(2R,3R)-3-Hydroxy-2-methyl-3-(1-phenylsulfanyl-cyclohexyl)-propyl]-3-phenyl-urea
Alternate Name(s) anti-(2RS,3RS)-N-{3-Hydroxy-2-methyl-3-[1-(phenylthio)-1-cyclohexyl]propyl}-N'-phenylurea anti-(2RS,3RS)-N-{3-Hydroxy-2-methyl-3-[1-(phenylthio)-1-cyclohexenyl]propyl}-N'-phenylurea anti-(2RS,3RS)-N-{3-Hydroxy-2-methyl-3-[1-(phenylthio)cyclohexyl]propyl}-N'-phenylurea N-{(2R,3R)-3-hydroxy-2-methyl-3-[1-(phenylsulfanyl)cyclohexyl]propyl}-N'-phenylurea syn-(2RS,3SR)-N-{3-Hydroxy-2-methyl-3-[1-(phenylthio)cyclohexyl]propyl}-N'-phenylurea
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Formula C23H30N2O2S
InChI InChI=1S/C23H30N2O2S/c1-18(17-24-22(27)25-19-11-5-2-6-12-19)21(26)23(15-9-4-10-16-23)28-20-13-7-3-8-14-20/h2-3,5-8,11-14,18,21,26H,4,9-10,15-17H2,1H3,(H2,24,25,27)/t18-,21-/m1/s1
InChIKey QIRYVXQKPUPYTE-WIYYLYMNSA-N
Molecular Weight 398.565 g/mol
SMILES N(C(Nc1ccccc1)=O)C[C@]([C@](C1(Sc2ccccc2)CCCCC1)(O)[H])(C)[H]
SPLASH splash10-0006-9870000000-c17a0dca28fd6dccb7fe
Source of Spectrum KC-1993-1648-20
Wiley ID 778337