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1-Benzyl-2-phenyl-ethyl diphenyl phosphate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-Benzyl-2-phenyl-ethyl diphenyl phosphate
SpectraBase Compound ID INicrCJIROS
InChI InChI=1S/C27H25O4P/c28-32(29-25-17-9-3-10-18-25,30-26-19-11-4-12-20-26)31-27(21-23-13-5-1-6-14-23)22-24-15-7-2-8-16-24/h1-20,27H,21-22H2
InChIKey XOMBPUSJNGQNJD-UHFFFAOYSA-N
Mol Weight 444.47 g/mol
Molecular Formula C27H25O4P
Exact Mass 444.149046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DlhHhQXkkTa
Name 1-Benzyl-2-phenyl-ethyl diphenyl phosphate
Comments Computed using HOSE algorithm
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Exact Mass 444.149046279 u
Formula C27H25O4P
InChI InChI=1S/C27H25O4P/c28-32(29-25-17-9-3-10-18-25,30-26-19-11-4-12-20-26)31-27(21-23-13-5-1-6-14-23)22-24-15-7-2-8-16-24/h1-20,27H,21-22H2
InChIKey XOMBPUSJNGQNJD-UHFFFAOYSA-N
Molecular Weight 444.467 g/mol
SMILES C=1(OP(=O)(OC=2C=CC=CC2)OC(CC=2C=CC=CC2)CC=2C=CC=CC2)C=CC=CC1