| SpectraBase Spectrum ID |
Dbyhop7gan7 |
| Name |
Isonipecotic acid, N-(2-fluoro-3-trifluoromethylbenzoyl)-, isobutyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
375.145756189 u |
| Formula |
C18H21F4NO3 |
| InChI |
InChI=1S/C18H21F4NO3/c1-11(2)10-26-17(25)12-6-8-23(9-7-12)16(24)13-4-3-5-14(15(13)19)18(20,21)22/h3-5,11-12H,6-10H2,1-2H3 |
| InChIKey |
BBUZIUXTPZBEPC-UHFFFAOYSA-N |
| Molecular Weight |
375.364 g/mol |
| SMILES |
CC(C)COC(C1CCN(C(C2=C(C(C(F)(F)F)=CC=C2)F)=O)CC1)=O |
