| SpectraBase Spectrum ID |
Hii8EZ1augd |
| Name |
Hepten-2-one<6-methyl-5-> |
| CAS Registry Number |
110-93-0 |
| 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 |
126.104465070 u |
| Formula |
C8H14O |
| 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/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3 |
| InChIKey |
UHEPJGULSIKKTP-UHFFFAOYSA-N |
| Molecular Weight |
126.199 g/mol |
| Nominal Mass |
126 u |
| Number of Peaks |
77 |
| SMILES |
CC(=CCCC(C)=O)C |
| SPLASH |
splash10-0006-9100000000-fd9c92c4b6011529f501 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001687 |
