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Butylphosphonic acid, 2-(1-adamantyl)ethyl decyl ester

View entire compound with spectra: 1 NMR

Butylphosphonic acid, 2-(1-adamantyl)ethyl decyl ester
SpectraBase Compound ID 4b8CHw5wIq9
InChI InChI=1S/C26H49O3P/c1-3-5-7-8-9-10-11-12-14-28-30(27,16-6-4-2)29-15-13-26-20-23-17-24(21-26)19-25(18-23)22-26/h23-25H,3-22H2,1-2H3/t23-,24+,25-,26+,30?
InChIKey GWILBBBIQPIDMT-OYDZCSGCSA-N
Mol Weight 440.6 g/mol
Molecular Formula C26H49O3P
Exact Mass 440.341932 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BrNUZ3C6yAT
Name Butylphosphonic acid, 2-(1-adamantyl)ethyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 440.341932433 u
Formula C26H49O3P
InChI InChI=1S/C26H49O3P/c1-3-5-7-8-9-10-11-12-14-28-30(27,16-6-4-2)29-15-13-26-20-23-17-24(21-26)19-25(18-23)22-26/h23-25H,3-22H2,1-2H3/t23-,24+,25-,26+,30?
InChIKey GWILBBBIQPIDMT-OYDZCSGCSA-N
Molecular Weight 440.649 g/mol
SMILES C(OP(CCCC)(OCCCCCCCCCC)=O)CC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]