| SpectraBase Compound ID | HqjIsRHI060 |
|---|---|
| InChI | InChI=1S/C6H6O2/c1-2-5-3-4-8-6(5)7/h2-3H,1,4H2 |
| InChIKey | ZHCVVUYVRCVOAH-UHFFFAOYSA-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 | 6fmOdmLa1Zq |
|---|---|
| Name | 4-Ethenyl-2H-furan-5-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/c1-2-5-3-4-8-6(5)7/h2-3H,1,4H2 |
| InChIKey | ZHCVVUYVRCVOAH-UHFFFAOYSA-N |
| Molecular Weight | 110.112 g/mol |
| SMILES | C1(C(C=C)=CCO1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984962 |