| SpectraBase Spectrum ID |
5Z5rbC7oKR6 |
| Name |
Paracetamol TFA |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
247.045627608 u |
| Formula |
C10H8F3NO3 |
| InChI |
InChI=1S/C10H8F3NO3/c1-6(15)14-7-2-4-8(5-3-7)17-9(16)10(11,12)13/h2-5H,1H3,(H,14,15) |
| InChIKey |
QBXUIWWRAZZXHQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
247.173 g/mol |
| Nominal Mass |
247 u |
| Quality |
931 |
| Retention Index |
1592 |
| SMILES |
C(C(OC=1C=CC(NC(=O)C)=CC1)=O)(F)(F)F |
| SPLASH |
splash10-0a4i-2790000000-7999cedc63207aea2b8d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(acetylamino)phenyl trifluoroacetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_008844 |
