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[[(Benzyloxy)-[[(benzyloxy)-hydroxyphosphoryl]-methyl]-phosphoryl]-methyl]-phosphonic_acid_dibenzylester;mixture_of_diastereomers

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[[(Benzyloxy)-[[(benzyloxy)-hydroxyphosphoryl]-methyl]-phosphoryl]-methyl]-phosphonic_acid_dibenzylester;mixture_of_diastereomers
SpectraBase Compound ID 5fwazpOcRsJ
InChI InChI=1S/C30H33O8P3/c31-39(35-21-27-13-5-1-6-14-27,25-40(32,33)36-22-28-15-7-2-8-16-28)26-41(34,37-23-29-17-9-3-10-18-29)38-24-30-19-11-4-12-20-30/h1-20H,21-26H2,(H,32,33)
InChIKey HARRNNXIQWAPOR-UHFFFAOYSA-N
Mol Weight 614.5 g/mol
Molecular Formula C30H33O8P3
Exact Mass 614.138829 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ntZrsGC4zi
Name [[(Benzyloxy)-[[(benzyloxy)-hydroxyphosphoryl]-methyl]-phosphoryl]-methyl]-phosphonic_acid_dibenzylester;mixture_of_diastereomers
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 614.138829009 u
Formula C30H33O8P3
InChI InChI=1S/C30H33O8P3/c31-39(35-21-27-13-5-1-6-14-27,25-40(32,33)36-22-28-15-7-2-8-16-28)26-41(34,37-23-29-17-9-3-10-18-29)38-24-30-19-11-4-12-20-30/h1-20H,21-26H2,(H,32,33)
InChIKey HARRNNXIQWAPOR-UHFFFAOYSA-N
Molecular Weight 614.507 g/mol
Nominal Mass 614 u
SMILES C(OP(=O)(OCC1=CC=CC=C1)CP(=O)(OCC1=CC=CC=C1)CP(=O)(OCC1=CC=CC=C1)O)C=1C=CC=CC1