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Butylphosphonic acid, 2-isopropylphenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, 2-isopropylphenyl tetradecyl ester
SpectraBase Compound ID Hu6ojrUoGIQ
InChI InChI=1S/C27H49O3P/c1-5-7-9-10-11-12-13-14-15-16-17-20-23-29-31(28,24-8-6-2)30-27-22-19-18-21-26(27)25(3)4/h18-19,21-22,25H,5-17,20,23-24H2,1-4H3
InChIKey GDTZJURTASUZTR-UHFFFAOYSA-N
Mol Weight 452.7 g/mol
Molecular Formula C27H49O3P
Exact Mass 452.341932 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C5CRxQdgAk8
Name Butylphosphonic acid, 2-isopropylphenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 452.341932433 u
Formula C27H49O3P
InChI InChI=1S/C27H49O3P/c1-5-7-9-10-11-12-13-14-15-16-17-20-23-29-31(28,24-8-6-2)30-27-22-19-18-21-26(27)25(3)4/h18-19,21-22,25H,5-17,20,23-24H2,1-4H3
InChIKey GDTZJURTASUZTR-UHFFFAOYSA-N
Molecular Weight 452.660 g/mol
SMILES C(OP(CCCC)(OC1=CC=CC=C1C(C)C)=O)CCCCCCCCCCCCC