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Butylphosphonic acid, 3-nitrophenyl undecyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, 3-nitrophenyl undecyl ester
SpectraBase Compound ID L2bqCNH2f2j
InChI InChI=1S/C21H36NO5P/c1-3-5-7-8-9-10-11-12-13-17-26-28(25,18-6-4-2)27-21-16-14-15-20(19-21)22(23)24/h14-16,19H,3-13,17-18H2,1-2H3
InChIKey HQOBVXGYPGHDPP-UHFFFAOYSA-N
Mol Weight 413.5 g/mol
Molecular Formula C21H36NO5P
Exact Mass 413.23311 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E7paMzo6IXK
Name Butylphosphonic acid, 3-nitrophenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 413.233110256 u
Formula C21H36NO5P
InChI InChI=1S/C21H36NO5P/c1-3-5-7-8-9-10-11-12-13-17-26-28(25,18-6-4-2)27-21-16-14-15-20(19-21)22(23)24/h14-16,19H,3-13,17-18H2,1-2H3
InChIKey HQOBVXGYPGHDPP-UHFFFAOYSA-N
Molecular Weight 413.495 g/mol
SMILES C1=C(C=C(C=C1)N(=O)=O)OP(CCCC)(OCCCCCCCCCCC)=O