| SpectraBase Compound ID | KOBXLmjZMeb |
|---|---|
| InChI | InChI=1S/C8H14O/c1-4-8(9)6-5-7(2)3/h5H,4,6H2,1-3H3 |
| InChIKey | RHAVXGQNJASKJW-UHFFFAOYSA-N |
| Mol Weight | 126.2 g/mol |
| Molecular Formula | C8H14O |
| Exact Mass | 126.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | E6oCObB9NeU |
|---|---|
| Name | 5-Hepten-3-one, 6-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.104465070 u |
| Formula | C8H14O |
| InChI | InChI=1S/C8H14O/c1-4-8(9)6-5-7(2)3/h5H,4,6H2,1-3H3 |
| InChIKey | RHAVXGQNJASKJW-UHFFFAOYSA-N |
| Molecular Weight | 126.199 g/mol |
| SMILES | C(=C(C)C)CC(=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963346 |