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(3R,5S)-3-Methyl-5-phenylthio-2-[(4-tert-butyl-2-oxotetrahydro[1,3]oxazol)carbonyl]cyclohexanol
SpectraBase Compound ID FKthot2EDwe
InChI InChI=1S/C21H29NO4S/c1-13-10-15(27-14-8-6-5-7-9-14)11-16(23)18(13)19(24)22-17(21(2,3)4)12-26-20(22)25/h5-9,13,15-18,23H,10-12H2,1-4H3/t13-,15+,16?,17?,18?/m1/s1
InChIKey RHYFLRXOWIGGHL-WZFUDBDSSA-N
Mol Weight 391.53 g/mol
Molecular Formula C21H29NO4S
Exact Mass 391.18173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3M9h4nRzY5J
Name (3R,5S)-3-Methyl-5-phenylthio-2-[(4-tert-butyl-2-oxotetrahydro[1,3]oxazol)carbonyl]cyclohexanol
Alternate Name(s) 3-Methyl-5-phenylthio-2-[(4-tert-butyl-2-oxotetrahydro[1,3]oxazol)carbonyl]cyclohexanol 4-tert-Butyl-3-{[(4S,6R)-2-hydroxy-6-methyl-4-(phenylsulfanyl)cyclohexyl]carbonyl}-1,3-oxazolidin-2-one
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Formula C21H29NO4S
InChI InChI=1S/C21H29NO4S/c1-13-10-15(27-14-8-6-5-7-9-14)11-16(23)18(13)19(24)22-17(21(2,3)4)12-26-20(22)25/h5-9,13,15-18,23H,10-12H2,1-4H3/t13-,15+,16?,17?,18?/m1/s1
InChIKey RHYFLRXOWIGGHL-WZFUDBDSSA-N
Molecular Weight 391.526 g/mol
SMILES OC1C(C(N2C(OCC2C(C)(C)C)=O)=O)[C@@](C[C@](Sc2ccccc2)(C1)[H])(C)[H]
SPLASH splash10-006x-0986000000-443051f78365d7278010
Source of Spectrum QE-8-2590-3
Wiley ID 1557694