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

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L-Proline, N-(2,5-ditrifluoromethylbenzoyl)-, octyl ester
SpectraBase Compound ID 5mWLPHfkr7U
InChI InChI=1S/C32H47F6NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-42-30(41)28-19-18-22-39(28)29(40)26-24-25(31(33,34)35)20-21-27(26)32(36,37)38/h20-21,24,28H,2-19,22-23H2,1H3
InChIKey XEYRHMXADJUNTL-UHFFFAOYSA-N
Mol Weight 607.7 g/mol
Molecular Formula C32H47F6NO3
Exact Mass 607.346013 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F34Y2O3UlWI
Name L-Proline, N-(2,5-ditrifluoromethylbenzoyl)-, octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 607.346013352 u
Formula C32H47F6NO3
InChI InChI=1S/C32H47F6NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-42-30(41)28-19-18-22-39(28)29(40)26-24-25(31(33,34)35)20-21-27(26)32(36,37)38/h20-21,24,28H,2-19,22-23H2,1H3
InChIKey XEYRHMXADJUNTL-UHFFFAOYSA-N
Molecular Weight 607.722 g/mol
SMILES C1=C(C=C(C(=C1)C(F)(F)F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCCCC)=O)C(F)(F)F