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

*Links on SpectraBase are not permalinks.

bis(1,2-o-Isopropylideneglycerol), 3-(o-2-carboethoxy-2-tritylaminoethyl)thionophosphate

View entire compound with spectra: 2 NMR

bis(1,2-o-Isopropylideneglycerol), 3-(o-2-carboethoxy-2-tritylaminoethyl)thionophosphate
SpectraBase Compound ID DZ2MsBWvRcO
InChI InChI=1S/C36H46NO9PS/c1-6-39-33(38)32(37-36(27-16-10-7-11-17-27,28-18-12-8-13-19-28)29-20-14-9-15-21-29)26-44-47(48,42-24-30-22-40-34(2,3)45-30)43-25-31-23-41-35(4,5)46-31/h7-21,30-32,37H,6,22-26H2,1-5H3
InChIKey HOGXYPSHHDYHKU-UHFFFAOYSA-N
Mol Weight 699.8 g/mol
Molecular Formula C36H46NO9PS
Exact Mass 699.26309 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 7gpl8bcIGWA
Name bis(1,2-o-Isopropylideneglycerol), 3-(o-2-carboethoxy-2-tritylaminoethyl)thionophosphate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 699.263090228 u
Formula C36H46NO9PS
InChI InChI=1S/C36H46NO9PS/c1-6-39-33(38)32(37-36(27-16-10-7-11-17-27,28-18-12-8-13-19-28)29-20-14-9-15-21-29)26-44-47(48,42-24-30-22-40-34(2,3)45-30)43-25-31-23-41-35(4,5)46-31/h7-21,30-32,37H,6,22-26H2,1-5H3
InChIKey HOGXYPSHHDYHKU-UHFFFAOYSA-N
Molecular Weight 699.796 g/mol
SMILES N(C(COP(OCC1COC(O1)(C)C)(=S)OCC1OC(OC1)(C)C)C(=O)OCC)C(c1ccccc1)(c1ccccc1)c1ccccc1