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

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L-Proline, N-(2,5-ditrifluoromethylbenzoyl)-, tetradecyl ester
SpectraBase Compound ID 9PbZLWIYN6x
InChI InChI=1S/C28H39F6NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-38-26(37)24-15-14-18-35(24)25(36)22-20-21(27(29,30)31)16-17-23(22)28(32,33)34/h16-17,20,24H,2-15,18-19H2,1H3
InChIKey YVDXDZSUPFDMCS-UHFFFAOYSA-N
Mol Weight 551.6 g/mol
Molecular Formula C28H39F6NO3
Exact Mass 551.283413 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F8SRLJTHyRi
Name L-Proline, N-(2,5-ditrifluoromethylbenzoyl)-, tetradecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 551.283413095 u
Formula C28H39F6NO3
InChI InChI=1S/C28H39F6NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-38-26(37)24-15-14-18-35(24)25(36)22-20-21(27(29,30)31)16-17-23(22)28(32,33)34/h16-17,20,24H,2-15,18-19H2,1H3
InChIKey YVDXDZSUPFDMCS-UHFFFAOYSA-N
Molecular Weight 551.614 g/mol
SMILES C1=C(C=C(C(=C1)C(F)(F)F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCC)=O)C(F)(F)F