| SpectraBase Spectrum ID |
5ZxrtzQxFM8 |
| Name |
4-(Trifluoromethoxy)benzoic acid |
| CAS Registry Number |
54935-00-1 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
206.019078507 u |
| Formula |
C8H5F3O3 |
| InChI |
InChI=1S/C8H5F3O3/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13) |
| InChIKey |
RATSANVPHHXDCT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
206.120 g/mol |
| Nominal Mass |
206 u |
| Quality |
988 |
| Retention Index |
1254 |
| SMILES |
OC(C1=CC=C(OC(F)(F)F)C=C1)=O |
| SPLASH |
splash10-052r-7940000000-9b8438e377429c5c5bc7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(trifluoromethoxy)benzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004812 |
