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L-Proline, N-(4-fluorobenzoyl)-, hexadecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(4-fluorobenzoyl)-, hexadecyl ester
SpectraBase Compound ID JyFt5T0kIDD
InChI InChI=1S/C28H44FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-33-28(32)26-17-16-22-30(26)27(31)24-18-20-25(29)21-19-24/h18-21,26H,2-17,22-23H2,1H3
InChIKey TXBKMKVBZWBKAB-UHFFFAOYSA-N
Mol Weight 461.7 g/mol
Molecular Formula C28H44FNO3
Exact Mass 461.330522 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HtWNO1QsIt8
Name L-Proline, N-(4-fluorobenzoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 461.330522441 u
Formula C28H44FNO3
InChI InChI=1S/C28H44FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-33-28(32)26-17-16-22-30(26)27(31)24-18-20-25(29)21-19-24/h18-21,26H,2-17,22-23H2,1H3
InChIKey TXBKMKVBZWBKAB-UHFFFAOYSA-N
Molecular Weight 461.662 g/mol
SMILES C1C(N(C(=O)C2=CC=C(C=C2)F)CC1)C(=O)OCCCCCCCCCCCCCCCC