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Butylphosphonic acid, 3-chlorophenyl dodecyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, 3-chlorophenyl dodecyl ester
SpectraBase Compound ID ACXpNpKtRks
InChI InChI=1S/C22H38ClO3P/c1-3-5-7-8-9-10-11-12-13-14-18-25-27(24,19-6-4-2)26-22-17-15-16-21(23)20-22/h15-17,20H,3-14,18-19H2,1-2H3
InChIKey NTFFLZVKFMYILC-UHFFFAOYSA-N
Mol Weight 417.0 g/mol
Molecular Formula C22H38ClO3P
Exact Mass 416.22471 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EPgxQidBfMM
Name Butylphosphonic acid, 3-chlorophenyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 416.224709779 u
Formula C22H38ClO3P
InChI InChI=1S/C22H38ClO3P/c1-3-5-7-8-9-10-11-12-13-14-18-25-27(24,19-6-4-2)26-22-17-15-16-21(23)20-22/h15-17,20H,3-14,18-19H2,1-2H3
InChIKey NTFFLZVKFMYILC-UHFFFAOYSA-N
Molecular Weight 416.970 g/mol
SMILES CCCCCCCCCCCCOP(CCCC)(=O)OC1=CC=CC(=C1)Cl