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L-Proline, N-(3-fluorobenzoyl)-, tetradecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(3-fluorobenzoyl)-, tetradecyl ester
SpectraBase Compound ID GzBTEh79Guw
InChI InChI=1S/C26H40FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-31-26(30)24-18-15-19-28(24)25(29)22-16-14-17-23(27)21-22/h14,16-17,21,24H,2-13,15,18-20H2,1H3
InChIKey BJSVRCGVIPHXSQ-UHFFFAOYSA-N
Mol Weight 433.6 g/mol
Molecular Formula C26H40FNO3
Exact Mass 433.299222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KF4TUyKoOqO
Name L-Proline, N-(3-fluorobenzoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 433.299222312 u
Formula C26H40FNO3
InChI InChI=1S/C26H40FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-31-26(30)24-18-15-19-28(24)25(29)22-16-14-17-23(27)21-22/h14,16-17,21,24H,2-13,15,18-20H2,1H3
InChIKey BJSVRCGVIPHXSQ-UHFFFAOYSA-N
Molecular Weight 433.608 g/mol
SMILES C1(=CC(=CC=C1)F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCC)=O