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

*Links on SpectraBase are not permalinks.

1,3-Dimethoxy-5-[2'-(methanesulfonyloxy)tridecyl]benzoate

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

1,3-Dimethoxy-5-[2'-(methanesulfonyloxy)tridecyl]benzoate
SpectraBase Compound ID 51hO8ZNGFV7
InChI InChI=1S/C22H38O5S/c1-5-6-7-8-9-10-11-12-13-14-20(27-28(4,23)24)15-19-16-21(25-2)18-22(17-19)26-3/h16-18,20H,5-15H2,1-4H3
InChIKey ZJERYAHPWACQJB-UHFFFAOYSA-N
Mol Weight 414.6 g/mol
Molecular Formula C22H38O5S
Exact Mass 414.243995 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 9S7A1bCHDit
Name 1,3-Dimethoxy-5-[2'-(methanesulfonyloxy)tridecyl]benzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.243995493 u
Formula C22H38O5S
InChI InChI=1S/C22H38O5S/c1-5-6-7-8-9-10-11-12-13-14-20(27-28(4,23)24)15-19-16-21(25-2)18-22(17-19)26-3/h16-18,20H,5-15H2,1-4H3
InChIKey ZJERYAHPWACQJB-UHFFFAOYSA-N
Molecular Weight 414.601 g/mol
SMILES C(OS(=O)(=O)C)(CC=1C=C(OC)C=C(C1)OC)CCCCCCCCCCC