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L-Proline, N-pentafluoropropionyl-, tetradecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-pentafluoropropionyl-, tetradecyl ester
SpectraBase Compound ID Lx7KzNn3Erz
InChI InChI=1S/C22H36F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-31-19(29)18-15-14-16-28(18)20(30)21(23,24)22(25,26)27/h18H,2-17H2,1H3
InChIKey BCKPMVAXDWSJNB-UHFFFAOYSA-N
Mol Weight 457.5 g/mol
Molecular Formula C22H36F5NO3
Exact Mass 457.261535 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A1hH8Mk24Qw
Name L-Proline, N-pentafluoropropionyl-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 457.261534835 u
Formula C22H36F5NO3
InChI InChI=1S/C22H36F5NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-31-19(29)18-15-14-16-28(18)20(30)21(23,24)22(25,26)27/h18H,2-17H2,1H3
InChIKey BCKPMVAXDWSJNB-UHFFFAOYSA-N
Molecular Weight 457.526 g/mol
SMILES C(N1CCCC1C(=O)OCCCCCCCCCCCCCC)(=O)C(C(F)(F)F)(F)F