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

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L-Proline, N-(3-trifluoromethylbenzoyl)-, octadecyl ester
SpectraBase Compound ID 7tYkj2RR6Nk
InChI InChI=1S/C31H48F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-38-30(37)28-22-19-23-35(28)29(36)26-20-18-21-27(25-26)31(32,33)34/h18,20-21,25,28H,2-17,19,22-24H2,1H3
InChIKey VRGPLSSESVJRDB-UHFFFAOYSA-N
Mol Weight 539.7 g/mol
Molecular Formula C31H48F3NO3
Exact Mass 539.358629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DXupn648Ld2
Name L-Proline, N-(3-trifluoromethylbenzoyl)-, octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 539.358628896 u
Formula C31H48F3NO3
InChI InChI=1S/C31H48F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-38-30(37)28-22-19-23-35(28)29(36)26-20-18-21-27(25-26)31(32,33)34/h18,20-21,25,28H,2-17,19,22-24H2,1H3
InChIKey VRGPLSSESVJRDB-UHFFFAOYSA-N
Molecular Weight 539.724 g/mol
SMILES C1CCC(N1C(=O)C1=CC(C(F)(F)F)=CC=C1)C(=O)OCCCCCCCCCCCCCCCCCC