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Butylphosphonic acid, 2-cyclohexylethyl propyl ester
SpectraBase Compound ID JMAvmJsm0NZ
InChI InChI=1S/C15H31O3P/c1-3-5-14-19(16,17-12-4-2)18-13-11-15-9-7-6-8-10-15/h15H,3-14H2,1-2H3
InChIKey AQCAAONNGSGRHZ-UHFFFAOYSA-N
Mol Weight 290.38 g/mol
Molecular Formula C15H31O3P
Exact Mass 290.201082 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F8hknUgyrAs
Name Butylphosphonic acid, 2-cyclohexylethyl propyl ester
Comments Computed using HOSE algorithm
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Exact Mass 290.201081853 u
Formula C15H31O3P
InChI InChI=1S/C15H31O3P/c1-3-5-14-19(16,17-12-4-2)18-13-11-15-9-7-6-8-10-15/h15H,3-14H2,1-2H3
InChIKey AQCAAONNGSGRHZ-UHFFFAOYSA-N
Molecular Weight 290.384 g/mol
SMILES CCCOP(CCCC)(=O)OCCC1CCCCC1