![6-Oxabicyclo[3.2.2]nona-3,8-diene-2,7-dione](/api/spectrum/3ZIBMF8CPB2/structure.png?h=300&w=458 "6-Oxabicyclo[3.2.2]nona-3,8-diene-2,7-dione")
| SpectraBase Compound ID | I8ZSEp0CA88 |
|---|---|
| InChI | InChI=1S/C8H6O3/c9-7-4-2-5-1-3-6(7)8(10)11-5/h1-6H/t5-,6+/m0/s1 |
| InChIKey | CIVVWLJRXVVAED-NTSWFWBYSA-N |
| Mol Weight | 150.13 g/mol |
| Molecular Formula | C8H6O3 |
| Exact Mass | 150.031694 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3ZIBMF8CPB2 |
|---|---|
| Name | 6-Oxabicyclo[3.2.2]nona-3,8-diene-2,7-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 150.031694050 u |
| Formula | C8H6O3 |
| InChI | InChI=1S/C8H6O3/c9-7-4-2-5-1-3-6(7)8(10)11-5/h1-6H/t5-,6+/m0/s1 |
| InChIKey | CIVVWLJRXVVAED-NTSWFWBYSA-N |
| Molecular Weight | 150.133 g/mol |
| SMILES | C1([C@@]2(C=C[C@@](C=CC2=O)(O1)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98783 |