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Tris(cis-9-octadecene-1-o)thiophosphate

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Tris(cis-9-octadecene-1-o)thiophosphate
SpectraBase Compound ID Gc4hcbCFTpK
InChI InChI=1S/C54H105O3PS/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58(59,56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30H,4-24,31-54H2,1-3H3/b28-25-,29-26-,30-27-
InChIKey BOJLLYSUWATQJX-IUPFWZBJSA-N
Mol Weight 865.5 g/mol
Molecular Formula C54H105O3PS
Exact Mass 864.752205 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JoFZnCiXZFC
Name Tris(cis-9-octadecene-1-o)thiophosphate
Comments Computed using HOSE algorithm
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Exact Mass 864.752205410 u
Formula C54H105O3PS
InChI InChI=1S/C54H105O3PS/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58(59,56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30H,4-24,31-54H2,1-3H3/b28-25-,29-26-,30-27-
InChIKey BOJLLYSUWATQJX-IUPFWZBJSA-N
Molecular Weight 865.465 g/mol
SMILES C(OP(OCCCCCCCC\C=C/CCCCCCCC)(OCCCCCCCC\C=C/CCCCCCCC)=S)CCCCCCC\C=C/CCCCCCCC