| SpectraBase Compound ID | 4wdelQ5AdBf |
|---|---|
| InChI | InChI=1S/C6H12O4/c1-2-10-6(9)3-5(8)4-7/h5,7-8H,2-4H2,1H3 |
| InChIKey | VKYSMCMNKCLRND-UHFFFAOYSA-N |
| Mol Weight | 148.16 g/mol |
| Molecular Formula | C6H12O4 |
| Exact Mass | 148.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H1TGU5e7SJ4 |
|---|---|
| Name | Ethyl 3,4-dihydroxybutanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.073558862 u |
| Formula | C6H12O4 |
| InChI | InChI=1S/C6H12O4/c1-2-10-6(9)3-5(8)4-7/h5,7-8H,2-4H2,1H3 |
| InChIKey | VKYSMCMNKCLRND-UHFFFAOYSA-N |
| SMILES | C(CO)(CC(OCC)=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94534 |