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L-Proline, N-(2-trifluoromethylbenzoyl)-, pentadecyl ester

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L-Proline, N-(2-trifluoromethylbenzoyl)-, pentadecyl ester
SpectraBase Compound ID Hy8dDWO6A8v
InChI InChI=1S/C28H42F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-35-27(34)25-20-17-21-32(25)26(33)23-18-14-15-19-24(23)28(29,30)31/h14-15,18-19,25H,2-13,16-17,20-22H2,1H3
InChIKey LFCNTLISECBFIK-UHFFFAOYSA-N
Mol Weight 497.6 g/mol
Molecular Formula C28H42F3NO3
Exact Mass 497.311679 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DVbR4PYSMju
Name L-Proline, N-(2-trifluoromethylbenzoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 497.311678702 u
Formula C28H42F3NO3
InChI InChI=1S/C28H42F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-35-27(34)25-20-17-21-32(25)26(33)23-18-14-15-19-24(23)28(29,30)31/h14-15,18-19,25H,2-13,16-17,20-22H2,1H3
InChIKey LFCNTLISECBFIK-UHFFFAOYSA-N
Molecular Weight 497.643 g/mol
SMILES C1(=C(C=CC=C1)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCC)=O)C(F)(F)F