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

*Links on SpectraBase are not permalinks.

(R)-(E)-5-(Phenylmethoxy)-1-(phenylsulfonyl)-1-penten-3-ol acetate

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

(R)-(E)-5-(Phenylmethoxy)-1-(phenylsulfonyl)-1-penten-3-ol acetate
SpectraBase Compound ID IOuCMoAkSvL
InChI InChI=1S/C20H22O5S/c1-17(21)25-19(12-14-24-16-18-8-4-2-5-9-18)13-15-26(22,23)20-10-6-3-7-11-20/h2-11,13,15,19H,12,14,16H2,1H3/b15-13+/t19-/m1/s1
InChIKey MSXCMPKWFJGWEN-OCKXMSAZSA-N
Mol Weight 374.45 g/mol
Molecular Formula C20H22O5S
Exact Mass 374.118795 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 1i8Nuve9ITm
Name (R)-(E)-5-(Phenylmethoxy)-1-(phenylsulfonyl)-1-penten-3-ol acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.118794977 u
Formula C20H22O5S
InChI InChI=1S/C20H22O5S/c1-17(21)25-19(12-14-24-16-18-8-4-2-5-9-18)13-15-26(22,23)20-10-6-3-7-11-20/h2-11,13,15,19H,12,14,16H2,1H3/b15-13+/t19-/m1/s1
InChIKey MSXCMPKWFJGWEN-OCKXMSAZSA-N
Molecular Weight 374.451 g/mol
SMILES [C@](\C=C\S(=O)(=O)C=1C=CC=CC1)(OC(=O)C)(CCOCC=1C=CC=CC1)[H]