| SpectraBase Spectrum ID |
EjKlpERgCWK |
| Name |
Cyclohexanone<3-methyl->(impure) |
| CAS Registry Number |
591-24-2 |
| 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 |
112.088815005 u |
| Formula |
C7H12O |
| 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/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3 |
| InChIKey |
UJBOOUHRTQVGRU-UHFFFAOYSA-N |
| Molecular Weight |
112.172 g/mol |
| Nominal Mass |
112 u |
| Number of Peaks |
63 |
| SMILES |
CC1CC(=O)CCC1 |
| SPLASH |
splash10-05mo-9000000000-31eb607c30f9372ae4a1 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001512 |
