| SpectraBase Spectrum ID |
665Gvim760W |
| Name |
Dimethyl-4-heptanone<3,5-> |
| CAS Registry Number |
19549-84-9 |
| 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 |
142.135765199 u |
| Formula |
C9H18O |
| 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/C9H18O/c1-5-7(3)9(10)8(4)6-2/h7-8H,5-6H2,1-4H3 |
| InChIKey |
VZXXYILNWWRSGE-UHFFFAOYSA-N |
| Molecular Weight |
142.242 g/mol |
| Nominal Mass |
142 u |
| Number of Peaks |
55 |
| SMILES |
C(C(=O)C(C)CC)(C)CC |
| SPLASH |
splash10-0a4i-9000000000-4749ca3c6920e6a85abd |
| Source |
ex ALDRICH ex JJ BROPHY |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001558 |
