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L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, pentadecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, pentadecyl ester
SpectraBase Compound ID CZT2s8HRjv8
InChI InChI=1S/C28H41F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-36-27(35)25-16-15-17-33(25)26(34)22-19-23(28(30,31)32)21-24(29)20-22/h19-21,25H,2-18H2,1H3
InChIKey INJGFKRAGFGNTQ-UHFFFAOYSA-N
Mol Weight 515.6 g/mol
Molecular Formula C28H41F4NO3
Exact Mass 515.302257 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FJGCD9hIuja
Name L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 515.302256833 u
Formula C28H41F4NO3
InChI InChI=1S/C28H41F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-36-27(35)25-16-15-17-33(25)26(34)22-19-23(28(30,31)32)21-24(29)20-22/h19-21,25H,2-18H2,1H3
InChIKey INJGFKRAGFGNTQ-UHFFFAOYSA-N
Molecular Weight 515.634 g/mol
SMILES C1=C(C=C(C=C1F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCC)=O)C(F)(F)F