| SpectraBase Compound ID | Ag9wNDrPka3 |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-7-5-6-9(13)11(3,4)10(7)8(2)12/h5-6H,1-4H3 |
| InChIKey | QVNWTIABDPRBAG-UHFFFAOYSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 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 | JcCVrm9nOh4 |
|---|---|
| Name | 5-Acetyl-4,6,6-trimethylcyclohexa-2,4-dienone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.099379689 u |
| Formula | C11H14O2 |
| InChI | InChI=1S/C11H14O2/c1-7-5-6-9(13)11(3,4)10(7)8(2)12/h5-6H,1-4H3 |
| InChIKey | QVNWTIABDPRBAG-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C1(=O)C(C)(C(C(C)=O)=C(C=C1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953972 |