| SpectraBase Compound ID | DDbGycc05Y |
|---|---|
| InChI | InChI=1S/C10H8O3/c1-12-7-2-3-8-9(11)4-5-13-10(8)6-7/h2-6H,1H3 |
| InChIKey | ZIPLCYUNFCYCCT-UHFFFAOYSA-N |
| Mol Weight | 176.17 g/mol |
| Molecular Formula | C10H8O3 |
| Exact Mass | 176.047344 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7ANmCxsINCw |
|---|---|
| Name | 7-Methoxy-1-benzopyran-4-(4H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.047344115 u |
| Formula | C10H8O3 |
| InChI | InChI=1S/C10H8O3/c1-12-7-2-3-8-9(11)4-5-13-10(8)6-7/h2-6H,1H3 |
| InChIKey | ZIPLCYUNFCYCCT-UHFFFAOYSA-N |
| Molecular Weight | 176.171 g/mol |
| SMILES | C1(=O)C=COC2=CC(OC)=CC=C12 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919858 |