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

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L-Proline, N-(5-fluoro-2-trifluoromethylbenzoyl)-, hexadecyl ester
SpectraBase Compound ID SHqNgNmU5o
InChI InChI=1S/C29H43F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-37-28(36)26-17-16-20-34(26)27(35)24-22-23(30)18-19-25(24)29(31,32)33/h18-19,22,26H,2-17,20-21H2,1H3
InChIKey JXGQLCQJCLFCMG-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 3kjcJKisrc1
Name L-Proline, N-(5-fluoro-2-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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-37-28(36)26-17-16-20-34(26)27(35)24-22-23(30)18-19-25(24)29(31,32)33/h18-19,22,26H,2-17,20-21H2,1H3
InChIKey JXGQLCQJCLFCMG-UHFFFAOYSA-N
Molecular Weight 529.661 g/mol
SMILES C1=C(C=CC(=C1C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCC)=O)C(F)(F)F)F