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

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L-Proline, N-(3-trifluoromethylbenzoyl)-, hexadecyl ester
SpectraBase Compound ID 18QsCj2tzlC
InChI InChI=1S/C29H44F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-36-28(35)26-20-17-21-33(26)27(34)24-18-16-19-25(23-24)29(30,31)32/h16,18-19,23,26H,2-15,17,20-22H2,1H3
InChIKey CUMAEURPGJPTIM-UHFFFAOYSA-N
Mol Weight 511.7 g/mol
Molecular Formula C29H44F3NO3
Exact Mass 511.327329 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KXymAT8Q8yP
Name L-Proline, N-(3-trifluoromethylbenzoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 511.327328767 u
Formula C29H44F3NO3
InChI InChI=1S/C29H44F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-36-28(35)26-20-17-21-33(26)27(34)24-18-16-19-25(23-24)29(30,31)32/h16,18-19,23,26H,2-15,17,20-22H2,1H3
InChIKey CUMAEURPGJPTIM-UHFFFAOYSA-N
Molecular Weight 511.670 g/mol
SMILES C1=C(C=C(C=C1)C(F)(F)F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCC)=O