| SpectraBase Spectrum ID |
GUxGy69swCG |
| Name |
Nitisinone-A |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
282.050378636 u |
| Formula |
C14H9F3O3 |
| InChI |
InChI=1S/C14H9F3O3/c15-14(16,17)9-6-4-8(5-7-9)13(20)12-10(18)2-1-3-11(12)19/h1-2,4-7,12H,3H2 |
| InChIKey |
BZWXKFOAXZGVRN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
282.218 g/mol |
| Nominal Mass |
282 u |
| Quality |
944 |
| Retention Index |
2186 |
| SMILES |
C(C1C(CC=CC1=O)=O)(C=1C=CC(C(F)(F)F)=CC1)=O |
| SPLASH |
splash10-0ue9-3490000000-ec669ea119f99f459065 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(4-(trifluoromethyl)benzoyl)cyclohex-4-ene-1,3-dione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_012081 |
