| SpectraBase Compound ID | BsOWdgm0zFo |
|---|---|
| InChI | InChI=1S/C10H18O/c1-8(2)10(4,5)7-6-9(3)11/h6-8H,1-5H3/b7-6+ |
| InChIKey | PVNRUOZFOQCTDV-VOTSOKGWSA-N |
| Mol Weight | 154.25 g/mol |
| Molecular Formula | C10H18O |
| Exact Mass | 154.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8MROmAjZZW5 |
|---|---|
| Name | 5,5,6-Trimethylhept-3-en-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.135765199 u |
| Formula | C10H18O |
| InChI | InChI=1S/C10H18O/c1-8(2)10(4,5)7-6-9(3)11/h6-8H,1-5H3/b7-6+ |
| InChIKey | PVNRUOZFOQCTDV-VOTSOKGWSA-N |
| Molecular Weight | 154.253 g/mol |
| SMILES | CC(C(C)C)(C)\C=C\C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966668 |