![3,6A-Dimethyltetrahydrofuro[2,3-B]furan-2(3H)-one](/api/spectrum/HlhEypirFvW/structure.png?h=300&w=458 "3,6A-Dimethyltetrahydrofuro[2,3-B]furan-2(3H)-one")
| SpectraBase Compound ID | DBxx1dc2C8e |
|---|---|
| InChI | InChI=1S/C8H12O3/c1-5-6-3-4-10-8(6,2)11-7(5)9/h5-6H,3-4H2,1-2H3 |
| InChIKey | YJLINKKXONDETJ-UHFFFAOYSA-N |
| Mol Weight | 156.18 g/mol |
| Molecular Formula | C8H12O3 |
| Exact Mass | 156.078644 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HlhEypirFvW |
|---|---|
| Name | 3,6A-Dimethyltetrahydrofuro[2,3-B]furan-2(3H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.078644243 u |
| Formula | C8H12O3 |
| InChI | InChI=1S/C8H12O3/c1-5-6-3-4-10-8(6,2)11-7(5)9/h5-6H,3-4H2,1-2H3 |
| InChIKey | YJLINKKXONDETJ-UHFFFAOYSA-N |
| Molecular Weight | 156.181 g/mol |
| SMILES | C1OC2(OC(C(C2C1)C)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.948875 |