| SpectraBase Compound ID | EmxZ8D34nBV |
|---|---|
| InChI | InChI=1S/C10H10O2/c11-8-2-1-3-9-7(6-8)4-5-10(9)12/h1-2H,3-6H2 |
| InChIKey | JCQQUAQGZWBLEQ-UHFFFAOYSA-N |
| Mol Weight | 162.19 g/mol |
| Molecular Formula | C10H10O2 |
| Exact Mass | 162.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7ieIMJcxkGv |
|---|---|
| Name | 2,3,4,8-Tetrahydro-1,5-azulenequinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.068079560 u |
| Formula | C10H10O2 |
| InChI | InChI=1S/C10H10O2/c11-8-2-1-3-9-7(6-8)4-5-10(9)12/h1-2H,3-6H2 |
| InChIKey | JCQQUAQGZWBLEQ-UHFFFAOYSA-N |
| Molecular Weight | 162.188 g/mol |
| SMILES | C12=C(C(=O)CC2)CC=CC(C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971807 |