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L-Proline, N-(2-trifluoromethylbenzoyl)-, hexadecyl ester

View entire compound with spectra: 1 NMR

L-Proline, N-(2-trifluoromethylbenzoyl)-, hexadecyl ester
SpectraBase Compound ID Tz1Ta71D0s
InChI InChI=1S/C29H44F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-36-28(35)26-21-18-22-33(26)27(34)24-19-15-16-20-25(24)29(30,31)32/h15-16,19-20,26H,2-14,17-18,21-23H2,1H3
InChIKey CAPFWUMVLWAZCT-UHFFFAOYSA-N
Mol Weight 511.7 g/mol
Molecular Formula C29H44F3NO3
Exact Mass 511.327329 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 60EnAHqAX4u
Name L-Proline, N-(2-trifluoromethylbenzoyl)-, hexadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 511.327328767 u
Formula C29H44F3NO3
InChI InChI=1S/C29H44F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-36-28(35)26-21-18-22-33(26)27(34)24-19-15-16-20-25(24)29(30,31)32/h15-16,19-20,26H,2-14,17-18,21-23H2,1H3
InChIKey CAPFWUMVLWAZCT-UHFFFAOYSA-N
Molecular Weight 511.670 g/mol
SMILES C1(=C(C=CC=C1)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCC)=O)C(F)(F)F