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L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, octadecyl ester

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L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, octadecyl ester
SpectraBase Compound ID CIo7UZGwS0x
InChI InChI=1S/C31H47F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-39-30(38)27-22-19-23-36(27)29(37)25-20-18-21-26(28(25)32)31(33,34)35/h18,20-21,27H,2-17,19,22-24H2,1H3
InChIKey XRJNRRLDZCGDJN-UHFFFAOYSA-N
Mol Weight 557.7 g/mol
Molecular Formula C31H47F4NO3
Exact Mass 557.349207 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Jj3vB0yWXp
Name L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 557.349207026 u
Formula C31H47F4NO3
InChI InChI=1S/C31H47F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-39-30(38)27-22-19-23-36(27)29(37)25-20-18-21-26(28(25)32)31(33,34)35/h18,20-21,27H,2-17,19,22-24H2,1H3
InChIKey XRJNRRLDZCGDJN-UHFFFAOYSA-N
Molecular Weight 557.715 g/mol
SMILES C1(=CC=CC(=C1F)C(F)(F)F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCCCC)=O