| SpectraBase Compound ID | LHPTuBJB6yn |
|---|---|
| InChI | InChI=1S/C6H8O4/c7-5-9-3-1-2-4-10-6-8/h1-2,5-6H,3-4H2/b2-1+ |
| InChIKey | HRLBERNMJJQWGK-OWOJBTEDSA-N |
| Mol Weight | 144.13 g/mol |
| Molecular Formula | C6H8O4 |
| Exact Mass | 144.042259 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LKn6tBN44Sh |
|---|---|
| Name | 2-Butene-1,4-diol, diformate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.042258734 u |
| Formula | C6H8O4 |
| InChI | InChI=1S/C6H8O4/c7-5-9-3-1-2-4-10-6-8/h1-2,5-6H,3-4H2/b2-1+ |
| InChIKey | HRLBERNMJJQWGK-OWOJBTEDSA-N |
| Molecular Weight | 144.126 g/mol |
| SMILES | C(\C=C\COC=O)OC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945894 |