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

*Links on SpectraBase are not permalinks.

(3S)3-Benzyloxy-4,4-dimethyl-5-(p-tolylsulfonyloxy)-1-pentene

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

(3S)3-Benzyloxy-4,4-dimethyl-5-(p-tolylsulfonyloxy)-1-pentene
SpectraBase Compound ID A5OBvFDc4nT
InChI InChI=1S/C21H26O4S/c1-5-20(24-15-18-9-7-6-8-10-18)21(3,4)16-25-26(22,23)19-13-11-17(2)12-14-19/h5-14,20H,1,15-16H2,2-4H3/t20-/m0/s1
InChIKey WCSSKMWVCXMJPZ-FQEVSTJZSA-N
Mol Weight 374.5 g/mol
Molecular Formula C21H26O4S
Exact Mass 374.15518 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 ATzHffJmttS
Name (3S)3-Benzyloxy-4,4-dimethyl-5-(p-tolylsulfonyloxy)-1-pentene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.155180487 u
Formula C21H26O4S
InChI InChI=1S/C21H26O4S/c1-5-20(24-15-18-9-7-6-8-10-18)21(3,4)16-25-26(22,23)19-13-11-17(2)12-14-19/h5-14,20H,1,15-16H2,2-4H3/t20-/m0/s1
InChIKey WCSSKMWVCXMJPZ-FQEVSTJZSA-N
Molecular Weight 374.495 g/mol
SMILES C(OS(C1=CC=C(C=C1)C)(=O)=O)C([C@@](OCC=1C=CC=CC1)(C=C)[H])(C)C