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Butylphosphonic acid, heptadecyl 4-methoxy-2-methylbutyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, heptadecyl 4-methoxy-2-methylbutyl ester
SpectraBase Compound ID 1DaVy1nkhHy
InChI InChI=1S/C27H57O4P/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-30-32(28,25-8-6-2)31-26-27(3)22-24-29-4/h27H,5-26H2,1-4H3
InChIKey HTNCSXRFBNPHPT-UHFFFAOYSA-N
Mol Weight 476.7 g/mol
Molecular Formula C27H57O4P
Exact Mass 476.399447 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BwbvDBMeC7b
Name Butylphosphonic acid, heptadecyl 4-methoxy-2-methylbutyl ester
Comments Computed using HOSE algorithm
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Exact Mass 476.399447309 u
Formula C27H57O4P
InChI InChI=1S/C27H57O4P/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-30-32(28,25-8-6-2)31-26-27(3)22-24-29-4/h27H,5-26H2,1-4H3
InChIKey HTNCSXRFBNPHPT-UHFFFAOYSA-N
Molecular Weight 476.723 g/mol
SMILES C(CCCCCOP(CCCC)(=O)OCC(CCOC)C)CCCCCCCCCCC