For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,3-Dimethyl-5-phenylthio-6-[(4-tert-butyl-2-oxotetrahydrooxazol-5-yl)carbonyl]cyclohexanol
SpectraBase Compound ID FObNvY0XM4e
InChI InChI=1S/C22H31NO4S/c1-13-11-15(28-14-9-7-6-8-10-14)16(22(5,26)12-13)17(24)18-19(21(2,3)4)23-20(25)27-18/h6-10,13,15-16,18-19,26H,11-12H2,1-5H3,(H,23,25)
InChIKey PRCYGEKJXJEDEL-UHFFFAOYSA-N
Mol Weight 405.55 g/mol
Molecular Formula C22H31NO4S
Exact Mass 405.19738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2UDMedpXhw
Name 1,3-Dimethyl-5-phenylthio-6-[(4-tert-butyl-2-oxotetrahydrooxazol-5-yl)carbonyl]cyclohexanol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO4S
InChI InChI=1S/C22H31NO4S/c1-13-11-15(28-14-9-7-6-8-10-14)16(22(5,26)12-13)17(24)18-19(21(2,3)4)23-20(25)27-18/h6-10,13,15-16,18-19,26H,11-12H2,1-5H3,(H,23,25)
InChIKey PRCYGEKJXJEDEL-UHFFFAOYSA-N
Molecular Weight 405.553 g/mol
SMILES OC1(C(C(C2C(NC(O2)=O)C(C)(C)C)=O)C(CC(C1)C)Sc1ccccc1)C
SPLASH splash10-0a6s-0490700000-ffee9f5e6f1dedf25acd
Source of Spectrum QE-8-2592-4
Synonyms 1,3-Dimethyl-5-phenylthio-6-[(4-tert-butyl-2-oxotetrahydrooxazol-1-yl)carbonyl]cyclohexanol 4-tert-Butyl-5-{[2-hydroxy-2,4-dimethyl-6-(phenylsulfanyl)cyclohexyl]carbonyl}-1,3-oxazolidin-2-one
Wiley ID 1557777