| SpectraBase Compound ID | AFMB8pZ9biH |
|---|---|
| InChI | InChI=1S/C9H14O2/c1-9(2)4-3-8(11)7(5-9)6-10/h5,10H,3-4,6H2,1-2H3 |
| InChIKey | YZPFUGCKJQOXCR-UHFFFAOYSA-N |
| Mol Weight | 154.21 g/mol |
| Molecular Formula | C9H14O2 |
| Exact Mass | 154.09938 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 | 7ys7ZA5EdDJ |
|---|---|
| Name | 4,4-Dimethyl-2-(hydroxymethyl)-cyclohex-2-en-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.099379689 u |
| Formula | C9H14O2 |
| InChI | InChI=1S/C9H14O2/c1-9(2)4-3-8(11)7(5-9)6-10/h5,10H,3-4,6H2,1-2H3 |
| InChIKey | YZPFUGCKJQOXCR-UHFFFAOYSA-N |
| Molecular Weight | 154.209 g/mol |
| SMILES | C1(C(=CC(CC1)(C)C)CO)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962292 |