| SpectraBase Compound ID | KHZ6VI4BnQB |
|---|---|
| InChI | InChI=1S/C7H6O4/c1-10-7(9)4-5-2-3-6(8)11-5/h2-4H,1H3/b5-4- |
| InChIKey | VJEKECVSYNXLCA-PLNGDYQASA-N |
| Mol Weight | 154.12 g/mol |
| Molecular Formula | C7H6O4 |
| Exact Mass | 154.026609 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1ueKFQp013f |
|---|---|
| Name | Methyl (Z)-2-[5-oxofuran-2(5H)-ylidene]acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.026608669 u |
| Formula | C7H6O4 |
| InChI | InChI=1S/C7H6O4/c1-10-7(9)4-5-2-3-6(8)11-5/h2-4H,1H3/b5-4- |
| InChIKey | VJEKECVSYNXLCA-PLNGDYQASA-N |
| Molecular Weight | 154.121 g/mol |
| SMILES | C(\C=C\1OC(C=C1)=O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981017 |