| SpectraBase Compound ID | 8Ui4AOoCom3 |
|---|---|
| InChI | InChI=1S/C6H10O4/c1-4(7)5(8)2-3-6(9)10/h2-5,7-8H,1H3,(H,9,10)/b3-2+ |
| InChIKey | MHJHGMSWCVGANA-NSCUHMNNSA-N |
| Mol Weight | 146.14 g/mol |
| Molecular Formula | C6H10O4 |
| Exact Mass | 146.057909 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CNIEFrXwjYO |
|---|---|
| Name | 4,5-Dihydroxy-2-hexenoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.057908798 u |
| Formula | C6H10O4 |
| InChI | InChI=1S/C6H10O4/c1-4(7)5(8)2-3-6(9)10/h2-5,7-8H,1H3,(H,9,10)/b3-2+ |
| InChIKey | MHJHGMSWCVGANA-NSCUHMNNSA-N |
| SMILES | C(\C=C\C(C(O)C)O)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.854955 |