![3,3a,4,6a-tetrahydro-2H-furo[3,2-d]furan-5-one](/api/spectrum/FNCA67NbO2u/structure.png?h=300&w=458 "3,3a,4,6a-tetrahydro-2H-furo[3,2-d]furan-5-one")
| SpectraBase Compound ID | 5zoCqXNwECy |
|---|---|
| InChI | InChI=1S/C6H8O3/c7-5-3-4-1-2-8-6(4)9-5/h4,6H,1-3H2 |
| InChIKey | IADWRRHAUNBWTI-UHFFFAOYSA-N |
| Mol Weight | 128.13 g/mol |
| Molecular Formula | C6H8O3 |
| Exact Mass | 128.047344 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FNCA67NbO2u |
|---|---|
| Name | 3,3A,4,6A-Tetrahydro-2H-furo[3,2-D]furan-5-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.047344115 u |
| Formula | C6H8O3 |
| InChI | InChI=1S/C6H8O3/c7-5-3-4-1-2-8-6(4)9-5/h4,6H,1-3H2 |
| InChIKey | IADWRRHAUNBWTI-UHFFFAOYSA-N |
| Molecular Weight | 128.127 g/mol |
| SMILES | C1(=O)OC2C(CCO2)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927021 |