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(1,2-o-Isopropylidenglycero-3)(1,2-o,o-dibenzylglycero-3)benzylthionophosphate

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(1,2-o-Isopropylidenglycero-3)(1,2-o,o-dibenzylglycero-3)benzylthionophosphate
SpectraBase Compound ID D5qbUr8t0wi
InChI InChI=1S/C30H37O7PS/c1-30(2)33-22-29(37-30)24-36-38(39,34-20-27-16-10-5-11-17-27)35-23-28(32-19-26-14-8-4-9-15-26)21-31-18-25-12-6-3-7-13-25/h3-17,28-29H,18-24H2,1-2H3
InChIKey VXVWWDSDFAAUOD-UHFFFAOYSA-N
Mol Weight 572.7 g/mol
Molecular Formula C30H37O7PS
Exact Mass 572.199762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HRMPVuqHxkY
Name (1,2-o-Isopropylidenglycero-3)(1,2-o,o-dibenzylglycero-3)benzylthionophosphate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 572.199761696 u
Formula C30H37O7PS
InChI InChI=1S/C30H37O7PS/c1-30(2)33-22-29(37-30)24-36-38(39,34-20-27-16-10-5-11-17-27)35-23-28(32-19-26-14-8-4-9-15-26)21-31-18-25-12-6-3-7-13-25/h3-17,28-29H,18-24H2,1-2H3
InChIKey VXVWWDSDFAAUOD-UHFFFAOYSA-N
Molecular Weight 572.653 g/mol
SMILES C(C1COC(O1)(C)C)OP(OCC(COCc1ccccc1)OCc1ccccc1)(OCc1ccccc1)=S