| SpectraBase Compound ID | 71iWzKl8VZT |
|---|---|
| InChI | InChI=1S/C10H10O2/c1-6-3-7(2)8-5-10(11)12-9(8)4-6/h3-4H,5H2,1-2H3 |
| InChIKey | MOTPGUUWWLWTDO-UHFFFAOYSA-N |
| Mol Weight | 162.19 g/mol |
| Molecular Formula | C10H10O2 |
| Exact Mass | 162.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ctc6G23B3uD |
|---|---|
| Name | 2,3-2H-Benzofuran-2-one, 4,6-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.068079560 u |
| Formula | C10H10O2 |
| InChI | InChI=1S/C10H10O2/c1-6-3-7(2)8-5-10(11)12-9(8)4-6/h3-4H,5H2,1-2H3 |
| InChIKey | MOTPGUUWWLWTDO-UHFFFAOYSA-N |
| Molecular Weight | 162.188 g/mol |
| SMILES | C12=C(C(=CC(=C2)C)C)CC(O1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.886235 |