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Butylphosphonic acid, dodecyl 2-isopropoxyphenyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, dodecyl 2-isopropoxyphenyl ester
SpectraBase Compound ID 7G2juRjai01
InChI InChI=1S/C25H45O4P/c1-5-7-9-10-11-12-13-14-15-18-21-27-30(26,22-8-6-2)29-25-20-17-16-19-24(25)28-23(3)4/h16-17,19-20,23H,5-15,18,21-22H2,1-4H3
InChIKey XVRHWLSLMJHBTG-UHFFFAOYSA-N
Mol Weight 440.6 g/mol
Molecular Formula C25H45O4P
Exact Mass 440.305547 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3rG72l0SPrD
Name Butylphosphonic acid, dodecyl 2-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 440.305546923 u
Formula C25H45O4P
InChI InChI=1S/C25H45O4P/c1-5-7-9-10-11-12-13-14-15-18-21-27-30(26,22-8-6-2)29-25-20-17-16-19-24(25)28-23(3)4/h16-17,19-20,23H,5-15,18,21-22H2,1-4H3
InChIKey XVRHWLSLMJHBTG-UHFFFAOYSA-N
Molecular Weight 440.605 g/mol
SMILES CCCCCCCCCCCCOP(OC1=CC=CC=C1OC(C)C)(CCCC)=O