| SpectraBase Spectrum ID |
DKz2dGb81m4 |
| Name |
Octen-3-one<1-> |
| CAS Registry Number |
4312-99-6 |
| 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/c1-3-5-6-7-8(9)4-2/h4H,2-3,5-7H2,1H3 |
| InChIKey |
KLTVSWGXIAYTHO-UHFFFAOYSA-N |
| Molecular Weight |
126.199 g/mol |
| Nominal Mass |
126 u |
| Number of Peaks |
37 |
| SMILES |
C(C(C=C)=O)CCCC |
| SPLASH |
splash10-05fr-9000000000-c2cb317fd03c88bb2380 |
| Source |
ex BEDOUKIAN RES. |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001986 |
