| SpectraBase Compound ID | ARcMgoIwEOE |
|---|---|
| InChI | InChI=1S/C11H10O3/c1-6-3-4-7(2)10-8(6)5-9(12)14-11(10)13/h3-4H,5H2,1-2H3 |
| InChIKey | NLUQWDDNCFONHB-UHFFFAOYSA-N |
| Mol Weight | 190.2 g/mol |
| Molecular Formula | C11H10O3 |
| Exact Mass | 190.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KcbSjEYvq9N |
|---|---|
| Name | 3,4-2H-Isocoumarin-3-one, 5,8-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.062994179 u |
| Formula | C11H10O3 |
| InChI | InChI=1S/C11H10O3/c1-6-3-4-7(2)10-8(6)5-9(12)14-11(10)13/h3-4H,5H2,1-2H3 |
| InChIKey | NLUQWDDNCFONHB-UHFFFAOYSA-N |
| Molecular Weight | 190.198 g/mol |
| SMILES | C1=CC(=C2C(=C1C)C(OC(C2)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.812847 |