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L-Proline, N-(3-fluoro-4-trifluoromethylbenzoyl)-, heptadecyl ester

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L-Proline, N-(3-fluoro-4-trifluoromethylbenzoyl)-, heptadecyl ester
SpectraBase Compound ID 9kc1YxUVfKQ
InChI InChI=1S/C30H45F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-38-29(37)27-18-17-21-35(27)28(36)24-19-20-25(26(31)23-24)30(32,33)34/h19-20,23,27H,2-18,21-22H2,1H3
InChIKey NLWSQZKNWLVMHC-UHFFFAOYSA-N
Mol Weight 543.7 g/mol
Molecular Formula C30H45F4NO3
Exact Mass 543.333557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Pzpfg8HlZJ
Name L-Proline, N-(3-fluoro-4-trifluoromethylbenzoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 543.333556962 u
Formula C30H45F4NO3
InChI InChI=1S/C30H45F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-38-29(37)27-18-17-21-35(27)28(36)24-19-20-25(26(31)23-24)30(32,33)34/h19-20,23,27H,2-18,21-22H2,1H3
InChIKey NLWSQZKNWLVMHC-UHFFFAOYSA-N
Molecular Weight 543.688 g/mol
SMILES C1(=CC=C(C=C1F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCCC)=O)C(F)(F)F