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L-Proline, N-(2-fluoro-5-trifluoromethylbenzoyl)-, tetradecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(2-fluoro-5-trifluoromethylbenzoyl)-, tetradecyl ester
SpectraBase Compound ID CBUu038VXRC
InChI InChI=1S/C27H39F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-35-26(34)24-15-14-18-32(24)25(33)22-20-21(27(29,30)31)16-17-23(22)28/h16-17,20,24H,2-15,18-19H2,1H3
InChIKey IOHLAHIUGLYPQD-UHFFFAOYSA-N
Mol Weight 501.6 g/mol
Molecular Formula C27H39F4NO3
Exact Mass 501.286607 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7CYEsahMu7U
Name L-Proline, N-(2-fluoro-5-trifluoromethylbenzoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 501.286606769 u
Formula C27H39F4NO3
InChI InChI=1S/C27H39F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-35-26(34)24-15-14-18-32(24)25(33)22-20-21(27(29,30)31)16-17-23(22)28/h16-17,20,24H,2-15,18-19H2,1H3
InChIKey IOHLAHIUGLYPQD-UHFFFAOYSA-N
Molecular Weight 501.607 g/mol
SMILES C1(=C(C=CC(=C1)C(F)(F)F)F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCC)=O