| SpectraBase Compound ID | Ekl9RZx1fLZ |
|---|---|
| InChI | InChI=1S/C12H10O5/c1-16-12(15)11(14)8-6-17-9-5-3-2-4-7(9)10(8)13/h2-5,8H,6H2,1H3 |
| InChIKey | DGEVJSZQXHDILF-UHFFFAOYSA-N |
| Mol Weight | 234.21 g/mol |
| Molecular Formula | C12H10O5 |
| Exact Mass | 234.052823 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FOetHIRrIUQ |
|---|---|
| Name | 3-Methoxyoxalyl-4-chromanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.052823417 u |
| Formula | C12H10O5 |
| InChI | InChI=1S/C12H10O5/c1-16-12(15)11(14)8-6-17-9-5-3-2-4-7(9)10(8)13/h2-5,8H,6H2,1H3 |
| InChIKey | DGEVJSZQXHDILF-UHFFFAOYSA-N |
| Molecular Weight | 234.207 g/mol |
| SMILES | C12=C(C=CC=C2)OCC(C1=O)C(C(OC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950322 |