| SpectraBase Spectrum ID |
2Oir5A4fQPV |
| Name |
2-[Methyl-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]carbamoyl]benzoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.074876877 u |
| Formula |
C18H13F6NO4 |
| InChI |
InChI=1S/C18H13F6NO4/c1-25(14(26)12-4-2-3-5-13(12)15(27)28)11-8-6-10(7-9-11)16(29,17(19,20)21)18(22,23)24/h2-9,29H,1H3,(H,27,28) |
| InChIKey |
CTIZPMQWQZHSKA-UHFFFAOYSA-N |
| Molecular Weight |
421.295 g/mol |
| SMILES |
C(C(F)(F)F)(C=1C=CC(=CC1)N(C(=O)C=1C(=CC=CC1)C(O)=O)C)(C(F)(F)F)O |
![2-[Methyl-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]carbamoyl]benzoic acid](/api/spectrum/2Oir5A4fQPV/structure.png?h=300&w=458 "2-[Methyl-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]carbamoyl]benzoic acid")
