| SpectraBase Compound ID | 3lzgQuYwFOx |
|---|---|
| InChI | InChI=1S/C9H8O3/c1-5-6(2)9(12)7(4-10)3-8(5)11/h3-4H,1-2H3 |
| InChIKey | FYOSPAIEQQAZEF-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 | HMw0Qzha81q |
|---|---|
| Name | Formyldimethyl-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/c1-5-6(2)9(12)7(4-10)3-8(5)11/h3-4H,1-2H3 |
| InChIKey | FYOSPAIEQQAZEF-UHFFFAOYSA-N |
| Molecular Weight | 164.160 g/mol |
| SMILES | C1(C(=C(C(C(=C1)C=O)=O)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935615 |