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

View entire compound with spectra: 1 NMR

Butylphosphonic acid, 2-(1-adamantyl)ethyl butyl ester
SpectraBase Compound ID I8ll3PRjYkX
InChI InChI=1S/C20H37O3P/c1-3-5-8-22-24(21,10-6-4-2)23-9-7-20-14-17-11-18(15-20)13-19(12-17)16-20/h17-19H,3-16H2,1-2H3/t17-,18+,19-,20+,24?
InChIKey PLGSRZMVZKJBBT-YNZYOZTCSA-N
Mol Weight 356.5 g/mol
Molecular Formula C20H37O3P
Exact Mass 356.248032 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D6O36Xx4uZG
Name Butylphosphonic acid, 2-(1-adamantyl)ethyl butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 356.248032046 u
Formula C20H37O3P
InChI InChI=1S/C20H37O3P/c1-3-5-8-22-24(21,10-6-4-2)23-9-7-20-14-17-11-18(15-20)13-19(12-17)16-20/h17-19H,3-16H2,1-2H3/t17-,18+,19-,20+,24?
InChIKey PLGSRZMVZKJBBT-YNZYOZTCSA-N
Molecular Weight 356.487 g/mol
SMILES CCCCOP(CCCC)(=O)OCCC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H]