| SpectraBase Compound ID | IZMCY4V8jgX |
|---|---|
| InChI | InChI=1S/C13H10O6/c1-7(14)17-11-5-9-3-4-13(16)19-10(9)6-12(11)18-8(2)15/h3-6H,1-2H3 |
| InChIKey | JPHZGTWMPATBDI-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 | AzYFzLDMB11 |
|---|---|
| Name | 6,7-bis(Acetyloxy)coumarin |
| 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)17-11-5-9-3-4-13(16)19-10(9)6-12(11)18-8(2)15/h3-6H,1-2H3 |
| InChIKey | JPHZGTWMPATBDI-UHFFFAOYSA-N |
| SMILES | C1(=C(OC(C)=O)C=C2C(=C1)OC(=O)C=C2)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956822 |