| SpectraBase Compound ID | KiEWGGFVJ7s |
|---|---|
| InChI | InChI=1S/C10H10O3/c1-10(2)5-6-7(11)3-4-8(12)9(6)13-10/h3-4H,5H2,1-2H3 |
| InChIKey | DIUSMPZLXXRDMS-UHFFFAOYSA-N |
| Mol Weight | 178.19 g/mol |
| Molecular Formula | C10H10O3 |
| Exact Mass | 178.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GIy0BkWbesN |
|---|---|
| Name | 2,2-Dimethyl-benzofuran-4,7(2H,3H)-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.062994179 u |
| Formula | C10H10O3 |
| InChI | InChI=1S/C10H10O3/c1-10(2)5-6-7(11)3-4-8(12)9(6)13-10/h3-4H,5H2,1-2H3 |
| InChIKey | DIUSMPZLXXRDMS-UHFFFAOYSA-N |
| Molecular Weight | 178.187 g/mol |
| SMILES | C1(OC=2C(C=CC(C2C1)=O)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918088 |