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Butylphosphonic acid, 1-adamantylmethyl butyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, 1-adamantylmethyl butyl ester
SpectraBase Compound ID LuDOUjtbNBz
InChI InChI=1S/C19H35O3P/c1-3-5-7-21-23(20,8-6-4-2)22-15-19-12-16-9-17(13-19)11-18(10-16)14-19/h16-18H,3-15H2,1-2H3/t16-,17+,18-,19-,23?
InChIKey OAKKKHZPVFDIOF-XADYVYKFSA-N
Mol Weight 342.5 g/mol
Molecular Formula C19H35O3P
Exact Mass 342.232382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2QQxpRlrYtg
Name Butylphosphonic acid, 1-adamantylmethyl butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 342.232381982 u
Formula C19H35O3P
InChI InChI=1S/C19H35O3P/c1-3-5-7-21-23(20,8-6-4-2)22-15-19-12-16-9-17(13-19)11-18(10-16)14-19/h16-18H,3-15H2,1-2H3/t16-,17+,18-,19-,23?
InChIKey OAKKKHZPVFDIOF-XADYVYKFSA-N
Molecular Weight 342.460 g/mol
SMILES C(OP(CCCC)(OCCCC)=O)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]