![Benzo[B]tetrahydrofuran-3-one, 5,6-dihydroxy-](/api/spectrum/KVOsAm55omQ/structure.png?h=300&w=458 "Benzo[B]tetrahydrofuran-3-one, 5,6-dihydroxy-")
| SpectraBase Compound ID | 5bg5UgZjl8v |
|---|---|
| InChI | InChI=1S/C8H6O4/c9-5-1-4-7(11)3-12-8(4)2-6(5)10/h1-2,9-10H,3H2 |
| InChIKey | RDRBEUXIJCFHCZ-UHFFFAOYSA-N |
| Mol Weight | 166.13 g/mol |
| Molecular Formula | C8H6O4 |
| Exact Mass | 166.026609 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KVOsAm55omQ |
|---|---|
| Name | Benzo[B]tetrahydrofuran-3-one, 5,6-dihydroxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.026608669 u |
| Formula | C8H6O4 |
| InChI | InChI=1S/C8H6O4/c9-5-1-4-7(11)3-12-8(4)2-6(5)10/h1-2,9-10H,3H2 |
| InChIKey | RDRBEUXIJCFHCZ-UHFFFAOYSA-N |
| Molecular Weight | 166.132 g/mol |
| SMILES | C12=C(C=C(C(=C2)O)O)OCC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976857 |