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

*Links on SpectraBase are not permalinks.
(1R,2R)-2,3-Dibenzyloxy-1-[2-(1,3-dioxolan-2-yl)]ethylpropyl methanesulfanate
SpectraBase Compound ID 4pPBEA2hGq4
InChI InChI=1S/C23H30O7S/c1-31(24,25)30-21(12-13-23-27-14-15-28-23)22(29-17-20-10-6-3-7-11-20)18-26-16-19-8-4-2-5-9-19/h2-11,21-23H,12-18H2,1H3/t21-,22-/m1/s1
InChIKey BMQWERCNDDBGHQ-FGZHOGPDSA-N
Mol Weight 450.55 g/mol
Molecular Formula C23H30O7S
Exact Mass 450.171224 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 BKKnWMkaKJO
Name (1R,2R)-2,3-Dibenzyloxy-1-[2-(1,3-dioxolan-2-yl)]ethylpropyl methanesulfanate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.171224473 u
Formula C23H30O7S
InChI InChI=1S/C23H30O7S/c1-31(24,25)30-21(12-13-23-27-14-15-28-23)22(29-17-20-10-6-3-7-11-20)18-26-16-19-8-4-2-5-9-19/h2-11,21-23H,12-18H2,1H3/t21-,22-/m1/s1
InChIKey BMQWERCNDDBGHQ-FGZHOGPDSA-N
Molecular Weight 450.546 g/mol
SMILES [C@@](OS(=O)(=O)C)([C@](OCC1=CC=CC=C1)(COCC1=CC=CC=C1)[H])(CCC1OCCO1)[H]