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L-Proline, N-(2-fluoro-5-trifluoromethylbenzoyl)-, dodecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(2-fluoro-5-trifluoromethylbenzoyl)-, dodecyl ester
SpectraBase Compound ID G6X2ejKKojx
InChI InChI=1S/C25H35F4NO3/c1-2-3-4-5-6-7-8-9-10-11-17-33-24(32)22-13-12-16-30(22)23(31)20-18-19(25(27,28)29)14-15-21(20)26/h14-15,18,22H,2-13,16-17H2,1H3
InChIKey GKVWMWBTVBYJSP-UHFFFAOYSA-N
Mol Weight 473.6 g/mol
Molecular Formula C25H35F4NO3
Exact Mass 473.255307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9lO1YqI6KsH
Name L-Proline, N-(2-fluoro-5-trifluoromethylbenzoyl)-, dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 473.255306640 u
Formula C25H35F4NO3
InChI InChI=1S/C25H35F4NO3/c1-2-3-4-5-6-7-8-9-10-11-17-33-24(32)22-13-12-16-30(22)23(31)20-18-19(25(27,28)29)14-15-21(20)26/h14-15,18,22H,2-13,16-17H2,1H3
InChIKey GKVWMWBTVBYJSP-UHFFFAOYSA-N
Molecular Weight 473.553 g/mol
SMILES C1=C(C=CC(=C1C(N1CCCC1C(=O)OCCCCCCCCCCCC)=O)F)C(F)(F)F