| SpectraBase Spectrum ID |
1aViwvhVvAA |
| Name |
Isonipecotic acid, N-(4-fluoro-2-trifluoromethylbenzoyl)-, heptadecyl 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-39-30(38)25-19-21-36(22-20-25)29(37)27-18-17-26(32)24-28(27)31(33,34)35/h17-18,24-25H,2-16,19-23H2,1H3 |
| InChIKey |
UQIYSXDVIBKGMV-UHFFFAOYSA-N |
| Molecular Weight |
557.715 g/mol |
| SMILES |
CCCCCCCCCCCCCCCCCOC(C1CCN(C(=O)C=2C=CC(=CC2C(F)(F)F)F)CC1)=O |
