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L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, hexadecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, hexadecyl ester
SpectraBase Compound ID 5bL7FqiLUjq
InChI InChI=1S/C29H43F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-37-28(36)26-17-16-18-34(26)27(35)23-20-24(29(31,32)33)22-25(30)21-23/h20-22,26H,2-19H2,1H3
InChIKey OHLXTPDFWALYCB-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 6cONSuUSB4K
Name L-Proline, N-(3-fluoro-5-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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-37-28(36)26-17-16-18-34(26)27(35)23-20-24(29(31,32)33)22-25(30)21-23/h20-22,26H,2-19H2,1H3
InChIKey OHLXTPDFWALYCB-UHFFFAOYSA-N
Molecular Weight 529.661 g/mol
SMILES C1=C(C=C(C=C1F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCC)=O)C(F)(F)F