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

*Links on SpectraBase are not permalinks.

(2S,4S)-2-Benzoylthiohex-4-yl benzoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2S,4S)-2-Benzoylthiohex-4-yl benzoate
SpectraBase Compound ID KuO5XyV15wH
InChI InChI=1S/C20H22O3S/c1-3-18(23-19(21)16-10-6-4-7-11-16)14-15(2)24-20(22)17-12-8-5-9-13-17/h4-13,15,18H,3,14H2,1-2H3/t15-,18-/m0/s1
InChIKey PKNMAMYEHVCXSY-YJBOKZPZSA-N
Mol Weight 342.45 g/mol
Molecular Formula C20H22O3S
Exact Mass 342.128966 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 2Eout8BF6zl
Name (2S,4S)-2-Benzoylthiohex-4-yl benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.128965739 u
Formula C20H22O3S
InChI InChI=1S/C20H22O3S/c1-3-18(23-19(21)16-10-6-4-7-11-16)14-15(2)24-20(22)17-12-8-5-9-13-17/h4-13,15,18H,3,14H2,1-2H3/t15-,18-/m0/s1
InChIKey PKNMAMYEHVCXSY-YJBOKZPZSA-N
Molecular Weight 342.453 g/mol
SMILES C(S[C@](C[C@@](OC(=O)C1=CC=CC=C1)(CC)[H])(C)[H])(=O)C=1C=CC=CC1