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L-Proline, N-(2,5-ditrifluoromethylbenzoyl)-, pentadecyl ester

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L-Proline, N-(2,5-ditrifluoromethylbenzoyl)-, pentadecyl ester
SpectraBase Compound ID 1d7G3AaxOgA
InChI InChI=1S/C29H41F6NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-39-27(38)25-16-15-19-36(25)26(37)23-21-22(28(30,31)32)17-18-24(23)29(33,34)35/h17-18,21,25H,2-16,19-20H2,1H3
InChIKey DDJKJCOSVYJZEV-UHFFFAOYSA-N
Mol Weight 565.6 g/mol
Molecular Formula C29H41F6NO3
Exact Mass 565.299063 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AqGdOgKuoNq
Name L-Proline, N-(2,5-ditrifluoromethylbenzoyl)-, pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 565.299063159 u
Formula C29H41F6NO3
InChI InChI=1S/C29H41F6NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-39-27(38)25-16-15-19-36(25)26(37)23-21-22(28(30,31)32)17-18-24(23)29(33,34)35/h17-18,21,25H,2-16,19-20H2,1H3
InChIKey DDJKJCOSVYJZEV-UHFFFAOYSA-N
Molecular Weight 565.641 g/mol
SMILES C1=C(C=C(C(=C1)C(F)(F)F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCC)=O)C(F)(F)F