| SpectraBase Compound ID | 6lIEleVvx5 |
|---|---|
| InChI | InChI=1S/C13H10O6/c1-7(14)17-9-5-11(18-8(2)15)10-3-4-13(16)19-12(10)6-9/h3-6H,1-2H3 |
| InChIKey | YVFCHGMDKPGYIK-UHFFFAOYSA-N |
| Mol Weight | 262.22 g/mol |
| Molecular Formula | C13H10O6 |
| Exact Mass | 262.047738 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FUqhIlMOomf |
|---|---|
| Name | 5,7-Diacetoxycoumarin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 262.047738036 u |
| Formula | C13H10O6 |
| InChI | InChI=1S/C13H10O6/c1-7(14)17-9-5-11(18-8(2)15)10-3-4-13(16)19-12(10)6-9/h3-6H,1-2H3 |
| InChIKey | YVFCHGMDKPGYIK-UHFFFAOYSA-N |
| SMILES | C12=C(C(OC(=O)C)=CC(=C2)OC(=O)C)C=CC(O1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964994 |