| SpectraBase Spectrum ID |
IEGN5Cz65U2 |
| Name |
Tolualdehyde |
| CAS Registry Number |
104-87-0 |
| 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/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3 |
| InChIKey |
FXLOVSHXALFLKQ-UHFFFAOYSA-N |
| Molecular Weight |
120.151 g/mol |
| Nominal Mass |
120 u |
| Number of Peaks |
55 |
| SMILES |
c1c(ccc(c1)C)C=O |
| SPLASH |
splash10-01bc-9500000000-0d7e34457df6b6c24aed |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001337 |
