| SpectraBase Spectrum ID |
1UrvMPvg6S |
| Name |
Heptanone<2-> |
| CAS Registry Number |
110-43-0 |
| 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 |
114.104465070 u |
| Formula |
C7H14O |
| 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/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3 |
| InChIKey |
CATSNJVOTSVZJV-UHFFFAOYSA-N |
| Molecular Weight |
114.188 g/mol |
| Nominal Mass |
114 u |
| Number of Peaks |
66 |
| SMILES |
C(CCCC)C(C)=O |
| SPLASH |
splash10-052f-9000000000-f06f328b8d6602ee5244 |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA001678 |
