| SpectraBase Compound ID | 7T45kRu8EA5 |
|---|---|
| InChI | InChI=1S/C8H10O4/c1-2-11-8(10)5-6-3-4-7(9)12-6/h3-4,6H,2,5H2,1H3/t6-/m0/s1 |
| InChIKey | LSRWPPWVRJKFIU-LURJTMIESA-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 | r21nY2duWl |
|---|---|
| Name | 5-Ethoxycarbonylmethyl-2(5H)-furanone |
| 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/c1-2-11-8(10)5-6-3-4-7(9)12-6/h3-4,6H,2,5H2,1H3/t6-/m0/s1 |
| InChIKey | LSRWPPWVRJKFIU-LURJTMIESA-N |
| SMILES | C1(O[C@](CC(=O)OCC)(C=C1)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988571 |