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L-Proline, N-heptafluorobutyryl-, decyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-heptafluorobutyryl-, decyl ester
SpectraBase Compound ID GdJl2zrZlgg
InChI InChI=1S/C19H28F7NO3/c1-2-3-4-5-6-7-8-9-13-30-15(28)14-11-10-12-27(14)16(29)17(20,21)18(22,23)19(24,25)26/h14H,2-13H2,1H3
InChIKey RBWZUOAVMQQOAD-UHFFFAOYSA-N
Mol Weight 451.43 g/mol
Molecular Formula C19H28F7NO3
Exact Mass 451.195741 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1IlIvrNTOzR
Name L-Proline, N-heptafluorobutyryl-, decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 451.195740904 u
Formula C19H28F7NO3
InChI InChI=1S/C19H28F7NO3/c1-2-3-4-5-6-7-8-9-13-30-15(28)14-11-10-12-27(14)16(29)17(20,21)18(22,23)19(24,25)26/h14H,2-13H2,1H3
InChIKey RBWZUOAVMQQOAD-UHFFFAOYSA-N
Molecular Weight 451.426 g/mol
SMILES C1CC(C(=O)OCCCCCCCCCC)N(C1)C(=O)C(C(C(F)(F)F)(F)F)(F)F