| SpectraBase Spectrum ID |
1L9oJHON72 |
| Name |
Octen-2-one<3E-> |
| CAS Registry Number |
18402-82-9 |
| 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/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6+ |
| InChIKey |
ZCFOBLITZWHNNC-VOTSOKGWSA-N |
| Molecular Weight |
126.199 g/mol |
| Nominal Mass |
126 u |
| Number of Peaks |
60 |
| SMILES |
C(\C=C\C(C)=O)CCC |
| SPLASH |
splash10-0a4l-9100000000-a9dee6fcc16c39601ad5 |
| Source |
ex BEDOUKIAN CHEM ex JJ BROPHY |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001983 |
