| SpectraBase Spectrum ID |
5ATF8aJuXw |
| Name |
Octen-1-al<2E-> |
| CAS Registry Number |
2548-87-0 |
| 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 |
126.104465070 u |
| Formula |
C8H14O |
| 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/C8H14O/c1-2-3-4-5-6-7-8-9/h6-8H,2-5H2,1H3/b7-6+ |
| InChIKey |
LVBXEMGDVWVTGY-VOTSOKGWSA-N |
| Molecular Weight |
126.199 g/mol |
| Nominal Mass |
126 u |
| Number of Peaks |
55 |
| SMILES |
C(C\C=C\C=O)CCC |
| SPLASH |
splash10-0a4l-9000000000-95f175c79533b94ac2fe |
| Source |
ex BEDOUKIAN Res. ex JJ BROPHY |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001978 |
