SpectraBase Spectrum ID |
HrMzqjQMA70 |
Name |
L-Proline, N-(3-trifluoromethylbenzoyl)-, heptyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
385.186478187 u |
Formula |
C20H26F3NO3 |
InChI |
InChI=1S/C20H26F3NO3/c1-2-3-4-5-6-13-27-19(26)17-11-8-12-24(17)18(25)15-9-7-10-16(14-15)20(21,22)23/h7,9-10,14,17H,2-6,8,11-13H2,1H3 |
InChIKey |
FXAKEAVXWUQIME-UHFFFAOYSA-N |
Molecular Weight |
385.427 g/mol |
SMILES |
C1(=CC=CC(=C1)C(N1CCCC1C(=O)OCCCCCCC)=O)C(F)(F)F |