| SpectraBase Compound ID | AqN8sxZ9tkn |
|---|---|
| InChI | InChI=1S/C8H10O5/c1-5-4-6(9)8(11-2,12-3)13-7(5)10/h4H,1-3H3 |
| InChIKey | GOZLWDXAKUBGGD-UHFFFAOYSA-N |
| Mol Weight | 186.16 g/mol |
| Molecular Formula | C8H10O5 |
| Exact Mass | 186.052823 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9XAgHB5ZzED |
|---|---|
| Name | 6,6-Dimethoxy-3-methyl-2H-pyran-2,5(6H)-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.052823417 u |
| Formula | C8H10O5 |
| InChI | InChI=1S/C8H10O5/c1-5-4-6(9)8(11-2,12-3)13-7(5)10/h4H,1-3H3 |
| InChIKey | GOZLWDXAKUBGGD-UHFFFAOYSA-N |
| Molecular Weight | 186.163 g/mol |
| SMILES | C1(C(=CC(C(O1)(OC)OC)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961636 |