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1,2-o-Isopropylideneglycerol, 3-(o-2-carboethoxy-2-tritylaminoethyl)thionophosphite
SpectraBase Compound ID F71RZKRwgHH
InChI InChI=1S/C30H36NO6PS/c1-4-33-28(32)27(22-36-38(39)35-21-26-20-34-29(2,3)37-26)31-30(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,26-27,31,38H,4,20-22H2,1-3H3
InChIKey SOPYUYBGHVLRPE-UHFFFAOYSA-N
Mol Weight 569.7 g/mol
Molecular Formula C30H36NO6PS
Exact Mass 569.200096 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2msvZxnQs4q
Name 1,2-o-Isopropylideneglycerol, 3-(o-2-carboethoxy-2-tritylaminoethyl)thionophosphite
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 569.200096049 u
Formula C30H36NO6PS
InChI InChI=1S/C30H36NO6PS/c1-4-33-28(32)27(22-36-38(39)35-21-26-20-34-29(2,3)37-26)31-30(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,26-27,31,38H,4,20-22H2,1-3H3
InChIKey SOPYUYBGHVLRPE-UHFFFAOYSA-N
Molecular Weight 569.653 g/mol
SMILES N(C(COP(OCC1COC(O1)(C)C)=S)C(=O)OCC)C(c1ccccc1)(c1ccccc1)c1ccccc1