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L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, tetradecyl ester

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L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, tetradecyl ester
SpectraBase Compound ID 9Mn7yC7ZIbQ
InChI InChI=1S/C27H39F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-35-26(34)23-18-15-19-32(23)25(33)21-16-14-17-22(24(21)28)27(29,30)31/h14,16-17,23H,2-13,15,18-20H2,1H3
InChIKey JZCDOQHCCPAKIS-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 8wmIFCxhNGf
Name L-Proline, N-(2-fluoro-3-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/c1-2-3-4-5-6-7-8-9-10-11-12-13-20-35-26(34)23-18-15-19-32(23)25(33)21-16-14-17-22(24(21)28)27(29,30)31/h14,16-17,23H,2-13,15,18-20H2,1H3
InChIKey JZCDOQHCCPAKIS-UHFFFAOYSA-N
Molecular Weight 501.607 g/mol
SMILES C1(=CC=CC(=C1F)C(F)(F)F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCC)=O