| SpectraBase Spectrum ID |
4XddH1N5jp3 |
| Name |
3,5-bis(Trifluoromethyl)benzoic acid |
| CAS Registry Number |
725-89-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H4F6O2 |
| InChI |
InChI=1S/C9H4F6O2/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H,16,17) |
| InChIKey |
HVFQJWGYVXKLTE-UHFFFAOYSA-N |
| Molecular Weight |
258.119 g/mol |
| SMILES |
OC(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)=O |
| SPLASH |
splash10-052f-0090000000-7a3de7facd379425c8c4 |
| Source of Spectrum |
D1-1990-748-10 |
| Synonyms |
3,5-Di-(trifluoromethyl) benzoic acid
Benzoic acid, 3,5-bis(trifluoromethyl)-
Bis(3,5-trifluoromethyl)benzoic acid |
| Wiley ID |
834262 |
