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Butylphosphonic acid, hexadecyl 2-isopropylphenyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, hexadecyl 2-isopropylphenyl ester
SpectraBase Compound ID CrZyLyXQ2OD
InChI InChI=1S/C29H53O3P/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-22-25-31-33(30,26-8-6-2)32-29-24-21-20-23-28(29)27(3)4/h20-21,23-24,27H,5-19,22,25-26H2,1-4H3
InChIKey MYAMOVBSPIWWBS-UHFFFAOYSA-N
Mol Weight 480.7 g/mol
Molecular Formula C29H53O3P
Exact Mass 480.373233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5oI21LiT34K
Name Butylphosphonic acid, hexadecyl 2-isopropylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 480.373232562 u
Formula C29H53O3P
InChI InChI=1S/C29H53O3P/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-22-25-31-33(30,26-8-6-2)32-29-24-21-20-23-28(29)27(3)4/h20-21,23-24,27H,5-19,22,25-26H2,1-4H3
InChIKey MYAMOVBSPIWWBS-UHFFFAOYSA-N
Molecular Weight 480.714 g/mol
SMILES C(CCCOP(CCCC)(OC1=CC=CC=C1C(C)C)=O)CCCCCCCCCCCC