| SpectraBase Spectrum ID |
K76U18TUOxD |
| Name |
Methyl cyclohexene |
| CAS Registry Number |
591-47-9 |
| 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 |
96.093900386 u |
| Formula |
C7H12 |
| 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/C7H12/c1-7-5-3-2-4-6-7/h2-3,7H,4-6H2,1H3 |
| InChIKey |
FSWCCQWDVGZMRD-UHFFFAOYSA-N |
| Molecular Weight |
96.173 g/mol |
| Nominal Mass |
96 u |
| Number of Peaks |
41 |
| SMILES |
CC1CCC=CC1 |
| SPLASH |
splash10-0fsi-9000000000-06d814c78a917fa97fda |
| Source |
ex BEDOUKIAN RES. |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001873 |
