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

View entire compound with spectra: 1 NMR

Butylphosphonic acid, 2-(1-adamantyl)ethyl hexyl ester
SpectraBase Compound ID KD8lIXTXw0b
InChI InChI=1S/C22H41O3P/c1-3-5-7-8-10-24-26(23,12-6-4-2)25-11-9-22-16-19-13-20(17-22)15-21(14-19)18-22/h19-21H,3-18H2,1-2H3/t19-,20+,21-,22+,26?
InChIKey SOARNALOAWWWBF-VZALYKIYSA-N
Mol Weight 384.5 g/mol
Molecular Formula C22H41O3P
Exact Mass 384.279332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5lcGIS0c9IX
Name Butylphosphonic acid, 2-(1-adamantyl)ethyl hexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 384.279332175 u
Formula C22H41O3P
InChI InChI=1S/C22H41O3P/c1-3-5-7-8-10-24-26(23,12-6-4-2)25-11-9-22-16-19-13-20(17-22)15-21(14-19)18-22/h19-21H,3-18H2,1-2H3/t19-,20+,21-,22+,26?
InChIKey SOARNALOAWWWBF-VZALYKIYSA-N
Molecular Weight 384.541 g/mol
SMILES C(OP(CCCC)(OCCCCCC)=O)CC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H]