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Butylphosphonic acid, 2-chlorophenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, 2-chlorophenyl pentadecyl ester
SpectraBase Compound ID LdjhzA4QaMt
InChI InChI=1S/C25H44ClO3P/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-22-28-30(27,23-6-4-2)29-25-21-18-17-20-24(25)26/h17-18,20-21H,3-16,19,22-23H2,1-2H3
InChIKey ZVPSZWFQOJCVMB-UHFFFAOYSA-N
Mol Weight 459.1 g/mol
Molecular Formula C25H44ClO3P
Exact Mass 458.27166 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Do7SU8fcgpi
Name Butylphosphonic acid, 2-chlorophenyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 458.271659972 u
Formula C25H44ClO3P
InChI InChI=1S/C25H44ClO3P/c1-3-5-7-8-9-10-11-12-13-14-15-16-19-22-28-30(27,23-6-4-2)29-25-21-18-17-20-24(25)26/h17-18,20-21H,3-16,19,22-23H2,1-2H3
InChIKey ZVPSZWFQOJCVMB-UHFFFAOYSA-N
Molecular Weight 459.051 g/mol
SMILES C1=C(C(=CC=C1)Cl)OP(CCCC)(=O)OCCCCCCCCCCCCCCC