| SpectraBase Spectrum ID |
G2QYC3KBGNA |
| Name |
3-Methylcyclohexanone (impure) |
| CAS Registry Number |
591-24-2 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C7H12O |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m 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 |
| SMILES |
CC1CC(=O)CCC1 |
| SPLASH |
splash10-05mo-9000000000-31eb607c30f9372ae4a1 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Synonyms |
Cyclohexanone<3-methyl->(impure) |
| Wiley ID |
1887273 |
