| SpectraBase Compound ID | 9J1nSs11Tz2 |
|---|---|
| InChI | InChI=1S/C10H10O3/c1-10(2)7-5-6(11)3-4-8(7)13-9(10)12/h3-5,11H,1-2H3 |
| InChIKey | IUJRLZVTCMCJIF-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 | EzEJMkJdPVB |
|---|---|
| Name | 2,3-2H-Benzofuran-5-ol-2-one, 3,3-dimethyl- |
| 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)7-5-6(11)3-4-8(7)13-9(10)12/h3-5,11H,1-2H3 |
| InChIKey | IUJRLZVTCMCJIF-UHFFFAOYSA-N |
| Molecular Weight | 178.187 g/mol |
| SMILES | C1=C(C=C2C(=C1)OC(C2(C)C)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927414 |