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(1R,3S,5R)-3-Methyl-5-phenylthio-1-piperidino-2-[(4-tert-butyl-2-oxotetrahydrooxazolyl)carbonyl]cyclohexane
SpectraBase Compound ID FgEOyuxGBtl
InChI InChI=1S/C26H38N2O3S/c1-18-15-20(32-19-11-7-5-8-12-19)16-21(27-13-9-6-10-14-27)23(18)24(29)28-22(26(2,3)4)17-31-25(28)30/h5,7-8,11-12,18,20-23H,6,9-10,13-17H2,1-4H3/t18-,20+,21+,22?,23?/m0/s1
InChIKey KLXVOGUOJTXKHV-MPNUAUKISA-N
Mol Weight 458.7 g/mol
Molecular Formula C26H38N2O3S
Exact Mass 458.260314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FtLyJPmEnbp
Name (1R,3S,5R)-3-Methyl-5-phenylthio-1-piperidino-2-[(4-tert-butyl-2-oxotetrahydrooxazolyl)carbonyl]cyclohexane
Alternate Name(s) 3-Methyl-5-phenylthio-1-piperidino-2-[(4-tert-butyl-2-oxotetrahydrooxazolyl)carbonyl]cyclohexane 4-tert-Butyl-3-{[(2S,4R,6R)-2-methyl-4-(phenylsulfanyl)-6-(1-piperidinyl)cyclohexyl]carbonyl}-1,3-oxazolidin-2-one
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Formula C26H38N2O3S
InChI InChI=1S/C26H38N2O3S/c1-18-15-20(32-19-11-7-5-8-12-19)16-21(27-13-9-6-10-14-27)23(18)24(29)28-22(26(2,3)4)17-31-25(28)30/h5,7-8,11-12,18,20-23H,6,9-10,13-17H2,1-4H3/t18-,20+,21+,22?,23?/m0/s1
InChIKey KLXVOGUOJTXKHV-MPNUAUKISA-N
Molecular Weight 458.661 g/mol
SMILES C(N1C(OCC1C(C)(C)C)=O)(C1[C@](N2CCCCC2)(C[C@@](C[C@@]1(C)[H])(Sc1ccccc1)[H])[H])=O
SPLASH splash10-0002-0009000000-9f1d2c34252f8b97d9c3
Source of Spectrum QE-8-2594-5
Wiley ID 1557767