| SpectraBase Spectrum ID |
Id8IUEFEvuh |
| Name |
Benzene acetaldehyde |
| CAS Registry Number |
122-78-1 |
| 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/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2 |
| InChIKey |
DTUQWGWMVIHBKE-UHFFFAOYSA-N |
| Molecular Weight |
120.151 g/mol |
| Nominal Mass |
120 u |
| Number of Peaks |
76 |
| SMILES |
c1c(cccc1)CC=O |
| SPLASH |
splash10-0006-9100000000-8879ca3932837b4c196b |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000133 |
