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L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, heptadecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(3-fluoro-5-trifluoromethylbenzoyl)-, heptadecyl ester
SpectraBase Compound ID 1GLCXAPRZUX
InChI InChI=1S/C30H45F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-38-29(37)27-18-17-19-35(27)28(36)24-21-25(30(32,33)34)23-26(31)22-24/h21-23,27H,2-20H2,1H3
InChIKey QETBLTDRPOHGIA-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 C8lngS2YDrA
Name L-Proline, N-(3-fluoro-5-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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-38-29(37)27-18-17-19-35(27)28(36)24-21-25(30(32,33)34)23-26(31)22-24/h21-23,27H,2-20H2,1H3
InChIKey QETBLTDRPOHGIA-UHFFFAOYSA-N
Molecular Weight 543.688 g/mol
SMILES C1=C(C=C(C=C1F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCCC)=O)C(F)(F)F