![7-Oxabicyclo[2.2.1]hept-5-en-2-one](/api/spectrum/DQ3kt2xfWhF/structure.png?h=300&w=458 "7-Oxabicyclo[2.2.1]hept-5-en-2-one")
| SpectraBase Compound ID | 31vDJCBt60J |
|---|---|
| InChI | InChI=1S/C6H6O2/c7-5-3-4-1-2-6(5)8-4/h1-2,4,6H,3H2/t4-,6+/m1/s1 |
| InChIKey | UOJMBOVGSKPEHF-XINAWCOVSA-N |
| Mol Weight | 110.11 g/mol |
| Molecular Formula | C6H6O2 |
| Exact Mass | 110.036779 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DQ3kt2xfWhF |
|---|---|
| Name | 7-Oxabicyclo[2.2.1]hept-5-en-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 110.036779431 u |
| Formula | C6H6O2 |
| InChI | InChI=1S/C6H6O2/c7-5-3-4-1-2-6(5)8-4/h1-2,4,6H,3H2/t4-,6+/m1/s1 |
| InChIKey | UOJMBOVGSKPEHF-XINAWCOVSA-N |
| Molecular Weight | 110.112 g/mol |
| SMILES | C=1[C@@]2(CC([C@](C1)(O2)[H])=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938849 |