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Butylphosphonic acid, 3-nitrophenyl nonyl ester
SpectraBase Compound ID 5mbxye6ZRur
InChI InChI=1S/C19H32NO5P/c1-3-5-7-8-9-10-11-15-24-26(23,16-6-4-2)25-19-14-12-13-18(17-19)20(21)22/h12-14,17H,3-11,15-16H2,1-2H3
InChIKey UDTJKBQVJPIKBM-UHFFFAOYSA-N
Mol Weight 385.4 g/mol
Molecular Formula C19H32NO5P
Exact Mass 385.20181 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K59cIgq84vC
Name Butylphosphonic acid, 3-nitrophenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 385.201810127 u
Formula C19H32NO5P
InChI InChI=1S/C19H32NO5P/c1-3-5-7-8-9-10-11-15-24-26(23,16-6-4-2)25-19-14-12-13-18(17-19)20(21)22/h12-14,17H,3-11,15-16H2,1-2H3
InChIKey UDTJKBQVJPIKBM-UHFFFAOYSA-N
Molecular Weight 385.441 g/mol
SMILES C1=C(C=C(C=C1)N(=O)=O)OP(CCCC)(OCCCCCCCCC)=O