| SpectraBase Spectrum ID |
8JydlhNSVs0 |
| Name |
4-(Trifluoromethyl)benzaldehyde |
| CAS Registry Number |
455-19-6 |
| Classification |
Designer drug precursor |
| 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 |
174.029249269 u |
| Formula |
C8H5F3O |
| InChI |
InChI=1S/C8H5F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-5H |
| InChIKey |
BEOBZEOPTQQELP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
174.122 g/mol |
| Nominal Mass |
174 u |
| Quality |
994 |
| Retention Index |
1235 |
| SMILES |
C(C=1C=CC(=CC1)C=O)(F)(F)F |
| SPLASH |
splash10-00dj-5900000000-56076431ec2281f0895b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(trifluoromethyl)benzaldehyde |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005115 |
