| SpectraBase Spectrum ID |
Itjgmz4zkEE |
| Name |
Isonipecotinoylisonipecotic acid, N'-(2-fluoro-5-trifluoromethylbenzoyl)-, isobutyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
486.214170102 u |
| Formula |
C24H30F4N2O4 |
| InChI |
InChI=1S/C24H30F4N2O4/c1-15(2)14-34-23(33)17-7-11-29(12-8-17)21(31)16-5-9-30(10-6-16)22(32)19-13-18(24(26,27)28)3-4-20(19)25/h3-4,13,15-17H,5-12,14H2,1-2H3 |
| InChIKey |
UMIQYSGQSAQQLL-UHFFFAOYSA-N |
| Molecular Weight |
486.508 g/mol |
| SMILES |
CC(C)COC(C1CCN(CC1)C(C1CCN(C(C2=CC(C(F)(F)F)=CC=C2F)=O)CC1)=O)=O |
