| SpectraBase Spectrum ID |
KUE4BksbiAp |
| Name |
Acetonyl acetone |
| CAS Registry Number |
110-13-4 |
| 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 |
114.068079560 u |
| Formula |
C6H10O2 |
| 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/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3 |
| InChIKey |
OJVAMHKKJGICOG-UHFFFAOYSA-N |
| Molecular Weight |
114.144 g/mol |
| Nominal Mass |
114 u |
| Number of Peaks |
29 |
| SMILES |
CC(CCC(C)=O)=O |
| SPLASH |
splash10-0006-9000000000-6d5e7fcaeb1d52ede8d9 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001418 |
