| SpectraBase Spectrum ID |
AgWE3AVwd2k |
| Name |
Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, heptyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
417.192706382 u |
| Formula |
C21H27F4NO3 |
| InChI |
InChI=1S/C21H27F4NO3/c1-2-3-4-5-6-13-29-20(28)15-9-11-26(12-10-15)19(27)17-14-16(21(23,24)25)7-8-18(17)22/h7-8,14-15H,2-6,9-13H2,1H3 |
| InChIKey |
GMBLESRASITLFF-UHFFFAOYSA-N |
| Molecular Weight |
417.445 g/mol |
| SMILES |
CCCCCCCOC(C1CCN(C(C2=CC(C(F)(F)F)=CC=C2F)=O)CC1)=O |
