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

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L-Proline, N-(2,5-ditrifluoromethylbenzoyl)-, hexadecyl ester
SpectraBase Compound ID 2Lyp2kpapsH
InChI InChI=1S/C30H43F6NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-40-28(39)26-17-16-20-37(26)27(38)24-22-23(29(31,32)33)18-19-25(24)30(34,35)36/h18-19,22,26H,2-17,20-21H2,1H3
InChIKey XWFZLBKJAUYRHG-UHFFFAOYSA-N
Mol Weight 579.7 g/mol
Molecular Formula C30H43F6NO3
Exact Mass 579.314713 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B6FztGHJ4V4
Name L-Proline, N-(2,5-ditrifluoromethylbenzoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 579.314713224 u
Formula C30H43F6NO3
InChI InChI=1S/C30H43F6NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-40-28(39)26-17-16-20-37(26)27(38)24-22-23(29(31,32)33)18-19-25(24)30(34,35)36/h18-19,22,26H,2-17,20-21H2,1H3
InChIKey XWFZLBKJAUYRHG-UHFFFAOYSA-N
Molecular Weight 579.668 g/mol
SMILES C1=C(C=C(C(=C1)C(F)(F)F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCC)=O)C(F)(F)F