| SpectraBase Spectrum ID |
2ILH6dHVXp7 |
| Name |
Isonipecotic acid, N-(2-fluoro-5-trifluoromethylbenzoyl)-, tridecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
501.286606769 u |
| Formula |
C27H39F4NO3 |
| InChI |
InChI=1S/C27H39F4NO3/c1-2-3-4-5-6-7-8-9-10-11-12-19-35-26(34)21-15-17-32(18-16-21)25(33)23-20-22(27(29,30)31)13-14-24(23)28/h13-14,20-21H,2-12,15-19H2,1H3 |
| InChIKey |
ALPUJNYKFBAMBA-UHFFFAOYSA-N |
| Molecular Weight |
501.607 g/mol |
| SMILES |
C(C1=CC=C(C(=C1)C(N1CCC(C(OCCCCCCCCCCCCC)=O)CC1)=O)F)(F)(F)F |
