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.beta.-Alanine, N-heptafluorobutyryl-, tetradecyl ester

View entire compound with spectra: 1 NMR

.beta.-Alanine, N-heptafluorobutyryl-, tetradecyl ester
SpectraBase Compound ID KWZWqfogOCD
InChI InChI=1S/C21H34F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-32-17(30)14-15-29-18(31)19(22,23)20(24,25)21(26,27)28/h2-16H2,1H3,(H,29,31)
InChIKey HZXRIAXXRDQPLP-UHFFFAOYSA-N
Mol Weight 481.5 g/mol
Molecular Formula C21H34F7NO3
Exact Mass 481.242691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F9tphpcNlNw
Name .beta.-Alanine, N-heptafluorobutyryl-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 481.242691097 u
Formula C21H34F7NO3
InChI InChI=1S/C21H34F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-32-17(30)14-15-29-18(31)19(22,23)20(24,25)21(26,27)28/h2-16H2,1H3,(H,29,31)
InChIKey HZXRIAXXRDQPLP-UHFFFAOYSA-N
Molecular Weight 481.496 g/mol
SMILES CCCCCCCCCCCCCCOC(CCNC(C(C(C(F)(F)F)(F)F)(F)F)=O)=O