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Butylphosphonic acid, decyl 3-nitrophenyl ester

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Butylphosphonic acid, decyl 3-nitrophenyl ester
SpectraBase Compound ID KvEbWMOgDrh
InChI InChI=1S/C20H34NO5P/c1-3-5-7-8-9-10-11-12-16-25-27(24,17-6-4-2)26-20-15-13-14-19(18-20)21(22)23/h13-15,18H,3-12,16-17H2,1-2H3
InChIKey HHJTXOQGOVGAMD-UHFFFAOYSA-N
Mol Weight 399.5 g/mol
Molecular Formula C20H34NO5P
Exact Mass 399.21746 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HASpY58Un1u
Name Butylphosphonic acid, decyl 3-nitrophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 399.217460192 u
Formula C20H34NO5P
InChI InChI=1S/C20H34NO5P/c1-3-5-7-8-9-10-11-12-16-25-27(24,17-6-4-2)26-20-15-13-14-19(18-20)21(22)23/h13-15,18H,3-12,16-17H2,1-2H3
InChIKey HHJTXOQGOVGAMD-UHFFFAOYSA-N
Molecular Weight 399.468 g/mol
SMILES C1=C(C=C(C=C1)N(=O)=O)OP(CCCC)(OCCCCCCCCCC)=O