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

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L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, hexadecyl ester
SpectraBase Compound ID 6Vz7pVVsQfA
InChI InChI=1S/C29H43F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-37-28(36)25-20-17-21-34(25)27(35)23-18-16-19-24(26(23)30)29(31,32)33/h16,18-19,25H,2-15,17,20-22H2,1H3
InChIKey JDZLMBBHJWBUOV-UHFFFAOYSA-N
Mol Weight 529.7 g/mol
Molecular Formula C29H43F4NO3
Exact Mass 529.317907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KZJVuXtWLV2
Name L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 529.317906898 u
Formula C29H43F4NO3
InChI InChI=1S/C29H43F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-37-28(36)25-20-17-21-34(25)27(35)23-18-16-19-24(26(23)30)29(31,32)33/h16,18-19,25H,2-15,17,20-22H2,1H3
InChIKey JDZLMBBHJWBUOV-UHFFFAOYSA-N
Molecular Weight 529.661 g/mol
SMILES C1(=CC=CC(=C1F)C(F)(F)F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCC)=O