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L-Proline, N-heptafluorobutyryl-, dodecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-heptafluorobutyryl-, dodecyl ester
SpectraBase Compound ID 8S2o9oZnTFo
InChI InChI=1S/C21H32F7NO3/c1-2-3-4-5-6-7-8-9-10-11-15-32-17(30)16-13-12-14-29(16)18(31)19(22,23)20(24,25)21(26,27)28/h16H,2-15H2,1H3
InChIKey JUZFIPAGYOTTJT-UHFFFAOYSA-N
Mol Weight 479.5 g/mol
Molecular Formula C21H32F7NO3
Exact Mass 479.227041 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2VTAaniHILN
Name L-Proline, N-heptafluorobutyryl-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 479.227041032 u
Formula C21H32F7NO3
InChI InChI=1S/C21H32F7NO3/c1-2-3-4-5-6-7-8-9-10-11-15-32-17(30)16-13-12-14-29(16)18(31)19(22,23)20(24,25)21(26,27)28/h16H,2-15H2,1H3
InChIKey JUZFIPAGYOTTJT-UHFFFAOYSA-N
Molecular Weight 479.480 g/mol
SMILES C1CC(C(=O)OCCCCCCCCCCCC)N(C1)C(=O)C(C(C(F)(F)F)(F)F)(F)F