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[3-Hydroxy-2-methyl-3-(1-phenylsulfanyl-cyclohexyl)-propyl]-carbamic acid ethyl ester
SpectraBase Compound ID LAXJKvqEnr1
InChI InChI=1S/C19H29NO3S/c1-3-23-18(22)20-14-15(2)17(21)19(12-8-5-9-13-19)24-16-10-6-4-7-11-16/h4,6-7,10-11,15,17,21H,3,5,8-9,12-14H2,1-2H3,(H,20,22)/t15-,17-/m1/s1
InChIKey CNJBAEVOQXSYCE-NVXWUHKLSA-N
Mol Weight 351.51 g/mol
Molecular Formula C19H29NO3S
Exact Mass 351.186815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LXG6OWQpBNM
Name [3-Hydroxy-2-methyl-3-(1-phenylsulfanyl-cyclohexyl)-propyl]-carbamic acid ethyl ester
Alternate Name(s) anti-(2RS,3RS)Ethyl N-{3-Hydroxy-2-methyl-3-[1-(phenylthio)cyclohexenyl]propyl}carbamate Ethyl 3-hydroxy-2-methyl-3-[1-(phenylsulfanyl)cyclohexyl]propylcarbamate syn-(2RS,3SR)-Ethyl N-{3-Hydroxy-2-methyl-3-[1-(phenylthio)cyclohexenyl]propyl}carbamate
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Formula C19H29NO3S
InChI InChI=1S/C19H29NO3S/c1-3-23-18(22)20-14-15(2)17(21)19(12-8-5-9-13-19)24-16-10-6-4-7-11-16/h4,6-7,10-11,15,17,21H,3,5,8-9,12-14H2,1-2H3,(H,20,22)/t15-,17-/m1/s1
InChIKey CNJBAEVOQXSYCE-NVXWUHKLSA-N
Molecular Weight 351.505 g/mol
SMILES N(C(=O)OCC)C[C@]([C@](C1(Sc2ccccc2)CCCCC1)(O)[H])(C)[H]
SPLASH splash10-0w93-0950000000-1312d22530e56014a3a2
Source of Spectrum KC-1993-1649-23
Wiley ID 778324