| SpectraBase Compound ID | 6Ui2PuYfZfE |
|---|---|
| InChI | InChI=1S/C8H10O4/c1-8(2)4-5(6(9)11-3)7(10)12-8/h4H,1-3H3 |
| InChIKey | BYINWEJDDSJTKB-UHFFFAOYSA-N |
| Mol Weight | 170.16 g/mol |
| Molecular Formula | C8H10O4 |
| Exact Mass | 170.057909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LIk2XRKLUSd |
|---|---|
| Name | 2-Keto-5,5-dimethyl-furan-3-carboxylic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.057908798 u |
| Formula | C8H10O4 |
| InChI | InChI=1S/C8H10O4/c1-8(2)4-5(6(9)11-3)7(10)12-8/h4H,1-3H3 |
| InChIKey | BYINWEJDDSJTKB-UHFFFAOYSA-N |
| SMILES | C=1(C(OC(C1)(C)C)=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.994138 |