| SpectraBase Spectrum ID |
AKrZifwtMXo |
| Name |
Isonipecotic acid, N-(2,5-difluorobenzoyl)-, heptyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.195900056 u |
| Formula |
C20H27F2NO3 |
| InChI |
InChI=1S/C20H27F2NO3/c1-2-3-4-5-6-13-26-20(25)15-9-11-23(12-10-15)19(24)17-14-16(21)7-8-18(17)22/h7-8,14-15H,2-6,9-13H2,1H3 |
| InChIKey |
JLDDTQASGGQNOD-UHFFFAOYSA-N |
| Molecular Weight |
367.437 g/mol |
| SMILES |
CCCCCCCOC(C1CCN(C(C2=C(C=CC(=C2)F)F)=O)CC1)=O |
