| SpectraBase Compound ID | Dlr8prgYjK1 |
|---|---|
| InChI | InChI=1S/C9H8O4/c1-12-7-3-2-5-6(10)4-13-9(5)8(7)11/h2-3,11H,4H2,1H3 |
| InChIKey | DFPDGVAUAHXSFE-UHFFFAOYSA-N |
| Mol Weight | 180.16 g/mol |
| Molecular Formula | C9H8O4 |
| Exact Mass | 180.042259 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5iSPAE5Wzim |
|---|---|
| Name | 6-Methoxycoumaran-7-ol-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.042258734 u |
| Formula | C9H8O4 |
| InChI | InChI=1S/C9H8O4/c1-12-7-3-2-5-6(10)4-13-9(5)8(7)11/h2-3,11H,4H2,1H3 |
| InChIKey | DFPDGVAUAHXSFE-UHFFFAOYSA-N |
| Molecular Weight | 180.159 g/mol |
| SMILES | C12=C(C(=C(C=C2)OC)O)OCC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955423 |