| SpectraBase Compound ID | BbCpATDFPWh |
|---|---|
| InChI | InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3 |
| InChIKey | QSJXEFYPDANLFS-UHFFFAOYSA-N |
| Mol Weight | 86.09 g/mol |
| Molecular Formula | C4H6O2 |
| Exact Mass | 86.036779 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2Byyb1seTdD |
|---|---|
| Name | 2,3-Butanedione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 86.036779431 u |
| Formula | C4H6O2 |
| InChI | InChI=1S/C4H6O2/c1-3(5)4(2)6/h1-2H3 |
| InChIKey | QSJXEFYPDANLFS-UHFFFAOYSA-N |
| Molecular Weight | 86.090 g/mol |
| SMILES | CC(C(C)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.974179 |