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

*Links on SpectraBase are not permalinks.

(E)-5-Benzyloxy-2-methyl-2-tosyl-3-heptene

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

(E)-5-Benzyloxy-2-methyl-2-tosyl-3-heptene
SpectraBase Compound ID BCbplzjR0fF
InChI InChI=1S/C22H28O3S/c1-5-20(25-17-19-9-7-6-8-10-19)15-16-22(3,4)26(23,24)21-13-11-18(2)12-14-21/h6-16,20H,5,17H2,1-4H3/b16-15+
InChIKey FQUHGLZLHFCLMQ-FOCLMDBBSA-N
Mol Weight 372.52 g/mol
Molecular Formula C22H28O3S
Exact Mass 372.175916 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID DvOFkr5W2dK
Name (E)-5-Benzyloxy-2-methyl-2-tosyl-3-heptene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 372.175915933 u
Formula C22H28O3S
InChI InChI=1S/C22H28O3S/c1-5-20(25-17-19-9-7-6-8-10-19)15-16-22(3,4)26(23,24)21-13-11-18(2)12-14-21/h6-16,20H,5,17H2,1-4H3/b16-15+
InChIKey FQUHGLZLHFCLMQ-FOCLMDBBSA-N
Molecular Weight 372.523 g/mol
SMILES C(S(C=1C=CC(=CC1)C)(=O)=O)(\C=C\C(OCC=1C=CC=CC1)CC)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.92839