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Butylphosphonic acid, 3,4-dichlorophenyl nonyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, 3,4-dichlorophenyl nonyl ester
SpectraBase Compound ID 6mNuio6khTy
InChI InChI=1S/C19H31Cl2O3P/c1-3-5-7-8-9-10-11-14-23-25(22,15-6-4-2)24-17-12-13-18(20)19(21)16-17/h12-13,16H,3-11,14-15H2,1-2H3
InChIKey YGHMBJYXTLTHHR-UHFFFAOYSA-N
Mol Weight 409.33 g/mol
Molecular Formula C19H31Cl2O3P
Exact Mass 408.138787 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Llf0HwYpzM
Name Butylphosphonic acid, 3,4-dichlorophenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 408.138787253 u
Formula C19H31Cl2O3P
InChI InChI=1S/C19H31Cl2O3P/c1-3-5-7-8-9-10-11-14-23-25(22,15-6-4-2)24-17-12-13-18(20)19(21)16-17/h12-13,16H,3-11,14-15H2,1-2H3
InChIKey YGHMBJYXTLTHHR-UHFFFAOYSA-N
Molecular Weight 409.334 g/mol
SMILES CCCCCCCCCOP(OC1=CC(=C(C=C1)Cl)Cl)(CCCC)=O