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

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L-Proline, N-(3-trifluoromethylbenzoyl)-, heptadecyl ester
SpectraBase Compound ID LiSOh5KUcX0
InChI InChI=1S/C30H46F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-37-29(36)27-21-18-22-34(27)28(35)25-19-17-20-26(24-25)30(31,32)33/h17,19-20,24,27H,2-16,18,21-23H2,1H3
InChIKey MOEBNQRPHBTROY-UHFFFAOYSA-N
Mol Weight 525.7 g/mol
Molecular Formula C30H46F3NO3
Exact Mass 525.342979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GEjlcgzXU9V
Name L-Proline, N-(3-trifluoromethylbenzoyl)-, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 525.342978831 u
Formula C30H46F3NO3
InChI InChI=1S/C30H46F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-37-29(36)27-21-18-22-34(27)28(35)25-19-17-20-26(24-25)30(31,32)33/h17,19-20,24,27H,2-16,18,21-23H2,1H3
InChIKey MOEBNQRPHBTROY-UHFFFAOYSA-N
Molecular Weight 525.697 g/mol
SMILES C1CCC(N1C(=O)C1=CC(=CC=C1)C(F)(F)F)C(=O)OCCCCCCCCCCCCCCCCC