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

*Links on SpectraBase are not permalinks.
trans-4-Oxo-3-phenylthiocyclohexyl benzoate
SpectraBase Compound ID 2p7Huc81RDf
InChI InChI=1S/C19H18O3S/c20-17-12-11-15(22-19(21)14-7-3-1-4-8-14)13-18(17)23-16-9-5-2-6-10-16/h1-10,15,18H,11-13H2/t15-,18+/m1/s1
InChIKey CLSSNQCOUTUTAK-QAPCUYQASA-N
Mol Weight 326.41 g/mol
Molecular Formula C19H18O3S
Exact Mass 326.097666 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 LG3wRZk6dQJ
Name trans-4-Oxo-3-phenylthiocyclohexyl benzoate
Alternate Name(s) trans-4-Oxo-3-phenylthio-cyclohexyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O3S
InChI InChI=1S/C19H18O3S/c20-17-12-11-15(22-19(21)14-7-3-1-4-8-14)13-18(17)23-16-9-5-2-6-10-16/h1-10,15,18H,11-13H2/t15-,18+/m1/s1
InChIKey CLSSNQCOUTUTAK-QAPCUYQASA-N
Molecular Weight 326.410 g/mol
SMILES C(O[C@]1(C[C@](Sc2ccccc2)(C(CC1)=O)[H])[H])(=O)c1ccccc1
SPLASH splash10-0pb9-4960000000-db6b8963a08a7046ad0b
Source of Spectrum QC-11-4482-15
Wiley ID 860226