| SpectraBase Spectrum ID |
JxlMEzyDrbL |
| Name |
2,4,6-Trimethylbenzaldehyde |
| CAS Registry Number |
5779-72-6 |
| 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 |
148.088815005 u |
| Formula |
C10H12O |
| InChI |
InChI=1S/C10H12O/c1-7-4-8(2)10(6-11)9(3)5-7/h4-6H,1-3H3 |
| InChIKey |
HIKRJHFHGKZKRI-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
148.205 g/mol |
| Nominal Mass |
148 u |
| Quality |
981 |
| Retention Index |
1279 |
| SMILES |
C1(=C(C(=CC(=C1)C)C)C=O)C |
| SPLASH |
splash10-0002-4900000000-71f039793f9ee57d618c |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Mesitylaldehyde |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005799 |
