| SpectraBase Compound ID | 5LS20jdt73J |
|---|---|
| InChI | InChI=1S/C11H10O2/c1-7-3-4-10-9(5-7)8(2)6-11(12)13-10/h3-6H,1-2H3 |
| InChIKey | VSSFMDMVOWSDBX-UHFFFAOYSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C11H10O2 |
| Exact Mass | 174.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8mxO5f6ceaZ |
|---|---|
| Name | 2H-1-Benzopyran-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 | 174.068079560 u |
| Formula | C11H10O2 |
| InChI | InChI=1S/C11H10O2/c1-7-3-4-10-9(5-7)8(2)6-11(12)13-10/h3-6H,1-2H3 |
| InChIKey | VSSFMDMVOWSDBX-UHFFFAOYSA-N |
| Molecular Weight | 174.199 g/mol |
| SMILES | C12=C(C=CC(=C2)C)OC(C=C1C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941473 |