| SpectraBase Compound ID | A5ORgTlulud |
|---|---|
| InChI | InChI=1S/C7H8O4/c1-10-7(9)4-5-2-3-6(8)11-5/h2-3,5H,4H2,1H3/t5-/m0/s1 |
| InChIKey | ZEMKELNRIHJVTH-YFKPBYRVSA-N |
| Mol Weight | 156.14 g/mol |
| Molecular Formula | C7H8O4 |
| Exact Mass | 156.042259 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4eaXC4l9NMn |
|---|---|
| Name | 2-(5-Keto-2H-furan-2-yl)acetic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.042258734 u |
| Formula | C7H8O4 |
| InChI | InChI=1S/C7H8O4/c1-10-7(9)4-5-2-3-6(8)11-5/h2-3,5H,4H2,1H3/t5-/m0/s1 |
| InChIKey | ZEMKELNRIHJVTH-YFKPBYRVSA-N |
| Molecular Weight | 156.137 g/mol |
| SMILES | C1(O[C@](CC(=O)OC)(C=C1)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975771 |