| SpectraBase Spectrum ID |
8JfsRaFJC0u |
| Name |
p-Cresol TFA |
| CAS Registry Number |
1813-29-2 |
| Classification |
Preservative derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
204.039813952 u |
| Formula |
C9H7F3O2 |
| InChI |
InChI=1S/C9H7F3O2/c1-6-2-4-7(5-3-6)14-8(13)9(10,11)12/h2-5H,1H3 |
| InChIKey |
HGHGGPKMLBWNBI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
204.148 g/mol |
| Nominal Mass |
204 u |
| Quality |
999 |
| Retention Index |
1444 |
| SMILES |
C(C(F)(F)F)(OC=1C=CC(=CC1)C)=O |
| SPLASH |
splash10-004i-9210000000-489d5c4e6ebead7d3baa |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-methylphenyl trifluoroacetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007446 |
