| SpectraBase Spectrum ID |
L6VW1qHpUlq |
| Name |
3,5-Bis(trifluoromethyl)benzoic acid |
| CAS Registry Number |
725-89-3 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
258.011548345 u |
| 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 |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
258.119 g/mol |
| Nominal Mass |
258 u |
| Quality |
995 |
| Retention Index |
1182 |
| SMILES |
OC(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)=O |
| SPLASH |
splash10-01ox-9680000000-6ff6b98d30f293fef7c1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3,5-bis(trifluoromethyl)benzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004490 |
