| SpectraBase Compound ID | 44tRN3uFbF7 |
|---|---|
| InChI | InChI=1S/C12H8O5/c1-7(14)17-9-2-3-10-11(4-9)16-6-8(5-13)12(10)15/h2-6H,1H3 |
| InChIKey | FREHGEVVMNNOAE-UHFFFAOYSA-N |
| Mol Weight | 232.19 g/mol |
| Molecular Formula | C12H8O5 |
| Exact Mass | 232.037173 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2Z6MFU11Jsb |
|---|---|
| Name | 7-Acetoxy-3-formylchromone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.037173353 u |
| Formula | C12H8O5 |
| InChI | InChI=1S/C12H8O5/c1-7(14)17-9-2-3-10-11(4-9)16-6-8(5-13)12(10)15/h2-6H,1H3 |
| InChIKey | FREHGEVVMNNOAE-UHFFFAOYSA-N |
| Molecular Weight | 232.191 g/mol |
| SMILES | C1=C(C=C2C(=C1)C(C(C=O)=CO2)=O)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966189 |