| SpectraBase Compound ID | 8brMWx3lFAk |
|---|---|
| InChI | InChI=1S/C8H8O2/c1-6-2-4-7(9)8(10)5-3-6/h2-5H,1H3,(H,9,10) |
| InChIKey | FQOCWKSOAXYSQY-UHFFFAOYSA-N |
| Mol Weight | 136.15 g/mol |
| Molecular Formula | C8H8O2 |
| Exact Mass | 136.052429 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HRKZOje4Sm3 |
|---|---|
| Name | 2-Hydroxy-5-methylcyclohepta-2,4,6-trien-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 136.052429496 u |
| Formula | C8H8O2 |
| InChI | InChI=1S/C8H8O2/c1-6-2-4-7(9)8(10)5-3-6/h2-5H,1H3,(H,9,10) |
| InChIKey | FQOCWKSOAXYSQY-UHFFFAOYSA-N |
| Molecular Weight | 136.150 g/mol |
| SMILES | C=1(C(C=CC(=CC1)C)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95165 |