| SpectraBase Spectrum ID |
GZ7cNWlSRqi |
| Name |
3-(Trifluoromethyl)benzaldehyde |
| CAS Registry Number |
454-89-7 |
| 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)7-3-1-2-6(4-7)5-12/h1-5H |
| InChIKey |
NMTUHPSKJJYGML-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
174.122 g/mol |
| Nominal Mass |
174 u |
| Quality |
993 |
| Retention Index |
1000 |
| SMILES |
C(C1=CC(=CC=C1)C=O)(F)(F)F |
| SPLASH |
splash10-00dj-6900000000-19464f1d434dc5c7a134 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-(trifluoromethyl)benzaldehyde |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004476 |
