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3-Phenyl-5-phenylthio-2-[(4-tert-butyl-2-oxotetrahydro[1,3]oxazol)carbonyl]cyclohexanol
SpectraBase Compound ID FGyvLEKpb4k
InChI InChI=1S/C26H31NO4S/c1-26(2,3)22-16-31-25(30)27(22)24(29)23-20(17-10-6-4-7-11-17)14-19(15-21(23)28)32-18-12-8-5-9-13-18/h4-13,19-23,28H,14-16H2,1-3H3
InChIKey GOMZEZYETVYVTE-UHFFFAOYSA-N
Mol Weight 453.6 g/mol
Molecular Formula C26H31NO4S
Exact Mass 453.19738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XaoOdGg1kP
Name 3-Phenyl-5-phenylthio-2-[(4-tert-butyl-2-oxotetrahydro[1,3]oxazol)carbonyl]cyclohexanol
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Formula C26H31NO4S
InChI InChI=1S/C26H31NO4S/c1-26(2,3)22-16-31-25(30)27(22)24(29)23-20(17-10-6-4-7-11-17)14-19(15-21(23)28)32-18-12-8-5-9-13-18/h4-13,19-23,28H,14-16H2,1-3H3
InChIKey GOMZEZYETVYVTE-UHFFFAOYSA-N
Molecular Weight 453.597 g/mol
SMILES OC1C(C(N2C(OCC2C(C)(C)C)=O)=O)C(CC(C1)Sc1ccccc1)c1ccccc1
SPLASH splash10-0f7o-0922500000-1af0f039e8070dedb275
Source of Spectrum QE-8-2590-3
Synonyms 4-tert-Butyl-3-{[2-hydroxy-6-phenyl-4-(phenylsulfanyl)cyclohexyl]carbonyl}-1,3-oxazolidin-2-one
Wiley ID 1557693