| SpectraBase Compound ID | DDvcxGkgdyh |
|---|---|
| InChI | InChI=1S/C10H8O3/c1-5-3-6(2)8-7(4-5)13-10(12)9(8)11/h3-4H,1-2H3 |
| InChIKey | YXLOMQUUGPIAIU-UHFFFAOYSA-N |
| Mol Weight | 176.17 g/mol |
| Molecular Formula | C10H8O3 |
| Exact Mass | 176.047344 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D6CcFgC6xVu |
|---|---|
| Name | 4,6-Dimethyl-2,3-benzofurandione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.047344115 u |
| Formula | C10H8O3 |
| InChI | InChI=1S/C10H8O3/c1-5-3-6(2)8-7(4-5)13-10(12)9(8)11/h3-4H,1-2H3 |
| InChIKey | YXLOMQUUGPIAIU-UHFFFAOYSA-N |
| Molecular Weight | 176.171 g/mol |
| SMILES | C12=C(C=C(C=C2C)C)OC(C1=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903548 |