| SpectraBase Spectrum ID |
9lilHSqVsum |
| Name |
Cyclohexanedione<3-methyl-1,2-> |
| CAS Registry Number |
3008-43-3 |
| 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 |
126.068079560 u |
| Formula |
C7H10O2 |
| 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/C7H10O2/c1-5-3-2-4-6(8)7(5)9/h5H,2-4H2,1H3 |
| InChIKey |
JDXJKLGWPNXSHL-UHFFFAOYSA-N |
| Molecular Weight |
126.155 g/mol |
| Nominal Mass |
126 u |
| Number of Peaks |
58 |
| SMILES |
C1(CCCC(C1=O)C)=O |
| SPLASH |
splash10-0536-9100000000-ba6ed91ebef0525c6e43 |
| Source |
ex ALDRICH |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000426 |
