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1,6,11,16-Tetraphosphacycloeicosane, tetra-p-benzyl-
SpectraBase Compound ID 9GWAHdQhZlq
InChI InChI=1S/C44H60P4/c1-5-21-41(22-6-1)37-45-29-13-15-31-46(38-42-23-7-2-8-24-42)33-17-19-35-48(40-44-27-11-4-12-28-44)36-20-18-34-47(32-16-14-30-45)39-43-25-9-3-10-26-43/h1-12,21-28H,13-20,29-40H2
InChIKey GEGHAGHKYFWXEK-UHFFFAOYSA-N
Mol Weight 712.9 g/mol
Molecular Formula C44H60P4
Exact Mass 712.36455 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DbLuUVW8xC2
Name 1,6,11,16-Tetraphosphacycloeicosane, tetra-p-benzyl-
Comments Computed using HOSE algorithm
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Exact Mass 712.364549924 u
Formula C44H60P4
InChI InChI=1S/C44H60P4/c1-5-21-41(22-6-1)37-45-29-13-15-31-46(38-42-23-7-2-8-24-42)33-17-19-35-48(40-44-27-11-4-12-28-44)36-20-18-34-47(32-16-14-30-45)39-43-25-9-3-10-26-43/h1-12,21-28H,13-20,29-40H2
InChIKey GEGHAGHKYFWXEK-UHFFFAOYSA-N
Molecular Weight 712.859 g/mol
SMILES C(P1CCCCP(Cc2ccccc2)CCCCP(Cc2ccccc2)CCCCP(Cc2ccccc2)CCCC1)c1ccccc1