| SpectraBase Spectrum ID |
B1capxMDZjs |
| Name |
2-Methyl-3-phenylpropanal |
| Classification |
Drug precursor |
| Comments |
Spectrum verified by crosschecking against external libraries (two 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 |
148.088815005 u |
| Formula |
C10H12O |
| InChI |
InChI=1S/C10H12O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3 |
| InChIKey |
HEPHYCJJLAUKSB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
148.205 g/mol |
| Nominal Mass |
148 u |
| Quality |
980 |
| Retention Index |
1126 |
| SMILES |
C1(CC(C=O)C)=CC=CC=C1 |
| SPLASH |
splash10-055b-4900000000-b8852997345528f56733 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007214 |
