| SpectraBase Spectrum ID |
A3wEEbr6uqT |
| Name |
2-Methylbenzaldehyde |
| CAS Registry Number |
529-20-4 |
| Classification |
Designer drug precursor |
| Comments |
Spectrum verified by crosschecking against external libraries (three reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
120.057514877 u |
| Formula |
C8H8O |
| InChI |
InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3 |
| InChIKey |
BTFQKIATRPGRBS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
120.151 g/mol |
| Nominal Mass |
120 u |
| Quality |
1000 |
| Retention Index |
1034 |
| SMILES |
C1(=C(C=CC=C1)C)C=O |
| SPLASH |
splash10-01bc-9700000000-4c4f4735e6623bbaa8ae |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_022643 |
