SpectraBase Spectrum ID |
3uUo3FOPLGW |
Name |
L-Proline, N-(2-fluoro-3-trifluoromethylbenzoyl)-, isohexyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
389.161406254 u |
Formula |
C19H23F4NO3 |
InChI |
InChI=1S/C19H23F4NO3/c1-12(2)6-5-11-27-18(26)15-9-4-10-24(15)17(25)13-7-3-8-14(16(13)20)19(21,22)23/h3,7-8,12,15H,4-6,9-11H2,1-2H3 |
InChIKey |
PHNAXRYMBOMTLN-UHFFFAOYSA-N |
Molecular Weight |
389.391 g/mol |
SMILES |
C1(=CC=CC(=C1F)C(F)(F)F)C(N1CCCC1C(=O)OCCCC(C)C)=O |