| SpectraBase Compound ID | 24aevVgQcFO |
|---|---|
| InChI | InChI=1S/C9H8O3/c1-5-7(11)3-4-8(12)9(5)6(2)10/h3-4H,1-2H3 |
| InChIKey | XJTSVXRGMORBED-UHFFFAOYSA-N |
| Mol Weight | 164.16 g/mol |
| Molecular Formula | C9H8O3 |
| Exact Mass | 164.047344 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Hw8bsc58Yoe |
|---|---|
| Name | 2-Acetyl-3-methyl-1,4-benzoquinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.047344115 u |
| Formula | C9H8O3 |
| InChI | InChI=1S/C9H8O3/c1-5-7(11)3-4-8(12)9(5)6(2)10/h3-4H,1-2H3 |
| InChIKey | XJTSVXRGMORBED-UHFFFAOYSA-N |
| Molecular Weight | 164.160 g/mol |
| SMILES | C1(=C(C(=O)C=CC1=O)C)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975319 |