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

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L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, heptadecyl ester
SpectraBase Compound ID CSOk2WsZoAU
InChI InChI=1S/C30H45F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-38-29(37)26-21-18-22-35(26)28(36)24-19-17-20-25(27(24)31)30(32,33)34/h17,19-20,26H,2-16,18,21-23H2,1H3
InChIKey CLEODGMYSPMQRF-UHFFFAOYSA-N
Mol Weight 543.7 g/mol
Molecular Formula C30H45F4NO3
Exact Mass 543.333557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2p55Vq9ByNw
Name L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 543.333556962 u
Formula C30H45F4NO3
InChI InChI=1S/C30H45F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-38-29(37)26-21-18-22-35(26)28(36)24-19-17-20-25(27(24)31)30(32,33)34/h17,19-20,26H,2-16,18,21-23H2,1H3
InChIKey CLEODGMYSPMQRF-UHFFFAOYSA-N
Molecular Weight 543.688 g/mol
SMILES C1(=CC=CC(=C1F)C(F)(F)F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCCC)=O