| SpectraBase Spectrum ID |
6IG21N690Se |
| Name |
Hexanal |
| CAS Registry Number |
66-25-1 |
| 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 |
100.088815005 u |
| Formula |
C6H12O |
| 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/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3 |
| InChIKey |
JARKCYVAAOWBJS-UHFFFAOYSA-N |
| Molecular Weight |
100.161 g/mol |
| Nominal Mass |
100 u |
| Number of Peaks |
41 |
| SMILES |
CCCCCC=O |
| SPLASH |
splash10-0006-9000000000-d7250d8df9ec9b98b952 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001704 |
