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Butylphosphonic acid, didecyl ester
SpectraBase Compound ID LfcqutdwfbJ
InChI InChI=1S/C24H51O3P/c1-4-7-10-12-14-16-18-20-22-26-28(25,24-9-6-3)27-23-21-19-17-15-13-11-8-5-2/h4-24H2,1-3H3
InChIKey BTSSEAXDWQZENT-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C24H51O3P
Exact Mass 418.357582 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E0Au4aP5Vuh
Name Butylphosphonic acid, didecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 418.357582497 u
Formula C24H51O3P
InChI InChI=1S/C24H51O3P/c1-4-7-10-12-14-16-18-20-22-26-28(25,24-9-6-3)27-23-21-19-17-15-13-11-8-5-2/h4-24H2,1-3H3
InChIKey BTSSEAXDWQZENT-UHFFFAOYSA-N
Molecular Weight 418.643 g/mol
SMILES C(CCCCOP(CCCC)(=O)OCCCCCCCCCC)CCCCC