| SpectraBase Spectrum ID |
3P3gKJWmu |
| Name |
Heptanal |
| CAS Registry Number |
111-71-7 |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
114.104465070 u |
| Formula |
C7H14O |
| InChI |
InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3 |
| InChIKey |
FXHGMKSSBGDXIY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
114.188 g/mol |
| Nominal Mass |
114 u |
| Quality |
996 |
| Retention Index |
781 |
| SMILES |
C(CCC=O)CCC |
| SPLASH |
splash10-0006-9000000000-1a5b71f476294f9b3cc6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Enanthaldehyde
n-Heptaldehyde |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009698 |
