| SpectraBase Spectrum ID |
AbviOQgloLp |
| Name |
Heptanal |
| CAS Registry Number |
111-71-7 |
| 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 |
114.104465070 u |
| Formula |
C7H14O |
| 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/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3 |
| InChIKey |
FXHGMKSSBGDXIY-UHFFFAOYSA-N |
| Molecular Weight |
114.188 g/mol |
| Nominal Mass |
114 u |
| Number of Peaks |
62 |
| SMILES |
C(CCCC=O)CC |
| SPLASH |
splash10-0006-9000000000-81855ab747c37633a06e |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001670 |
