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Butylphosphonic acid, but-1-yn-3-yl decyl ester
SpectraBase Compound ID CfXZxxfWwvn
InChI InChI=1S/C18H35O3P/c1-5-8-10-11-12-13-14-15-16-20-22(19,17-9-6-2)21-18(4)7-3/h3,18H,5-6,8-17H2,1-2,4H3
InChIKey OPQYJFMAUZEICV-UHFFFAOYSA-N
Mol Weight 330.4 g/mol
Molecular Formula C18H35O3P
Exact Mass 330.232382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5fPv0dT1LYe
Name Butylphosphonic acid, but-1-yn-3-yl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 330.232381982 u
Formula C18H35O3P
InChI InChI=1S/C18H35O3P/c1-5-8-10-11-12-13-14-15-16-20-22(19,17-9-6-2)21-18(4)7-3/h3,18H,5-6,8-17H2,1-2,4H3
InChIKey OPQYJFMAUZEICV-UHFFFAOYSA-N
Molecular Weight 330.449 g/mol
SMILES CCCCCCCCCCOP(OC(C#C)C)(CCCC)=O