| SpectraBase Spectrum ID |
GhYyH5yNKhY |
| Name |
Heptanone<5-methyl-3-> |
| CAS Registry Number |
541-85-5 |
| 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 |
128.120115134 u |
| Formula |
C8H16O |
| 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/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3 |
| InChIKey |
PSBKJPTZCVYXSD-UHFFFAOYSA-N |
| Molecular Weight |
128.215 g/mol |
| Nominal Mass |
128 u |
| Number of Peaks |
71 |
| SMILES |
C(C(CC)C)C(CC)=O |
| SPLASH |
splash10-0596-9000000000-24de38967f57b5c71a50 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001682 |
