| SpectraBase Compound ID | 1SVhmMrTulP |
|---|---|
| InChI | InChI=1S/C8H10O4/c1-2-8-5(3-6(9)11-8)4-7(10)12-8/h5H,2-4H2,1H3 |
| InChIKey | JVCVSQUBUBLCSE-UHFFFAOYSA-N |
| Mol Weight | 170.16 g/mol |
| Molecular Formula | C8H10O4 |
| Exact Mass | 170.057909 g/mol |
| SpectraBase Spectrum ID | CVra2K5Qnlj |
|---|---|
| Name | 6A-Ethyl-2,5-dioxohexahydrofuro[2,3-B]furan |
| 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/c1-2-8-5(3-6(9)11-8)4-7(10)12-8/h5H,2-4H2,1H3 |
| InChIKey | JVCVSQUBUBLCSE-UHFFFAOYSA-N |
| SMILES | C12(C(CC(O2)=O)CC(O1)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956562 |