| SpectraBase Spectrum ID |
4EoqeSnKbCL |
| Name |
Tolualdehyde |
| CAS Registry Number |
529-20-4 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
120.057514877 u |
| Formula |
C8H8O |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C8H8O/c1-7-4-2-3-5-8(7)6-9/h2-6H,1H3 |
| InChIKey |
BTFQKIATRPGRBS-UHFFFAOYSA-N |
| Molecular Weight |
120.151 g/mol |
| Nominal Mass |
120 u |
| Number of Peaks |
60 |
| SMILES |
C(=O)c1c(C)cccc1 |
| SPLASH |
splash10-00r6-9400000000-aa1e138186166f1e626d |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001336 |
