| SpectraBase Spectrum ID |
rMLkDn5ngC |
| Name |
L-Proline, N-(3-fluoro-4-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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-39-30(38)28-19-18-22-36(28)29(37)25-20-21-26(27(32)24-25)31(33,34)35/h20-21,24,28H,2-19,22-23H2,1H3 |
| InChIKey |
NVHXHXFFWLQDNW-UHFFFAOYSA-N |
| Molecular Weight |
557.715 g/mol |
| SMILES |
C1(=CC=C(C=C1F)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCCCC)=O)C(F)(F)F |
