| SpectraBase Compound ID | IF4UoEB0Fa9 |
|---|---|
| InChI | InChI=1S/C5H6O3/c6-3-4-1-2-8-5(4)7/h1,6H,2-3H2 |
| InChIKey | XFPIXDKTZHFDLO-UHFFFAOYSA-N |
| Mol Weight | 114.1 g/mol |
| Molecular Formula | C5H6O3 |
| Exact Mass | 114.031694 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FTfevzROOKx |
|---|---|
| Name | 4-(Hydroxymethyl)-2H-furan-5-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 114.031694050 u |
| Formula | C5H6O3 |
| InChI | InChI=1S/C5H6O3/c6-3-4-1-2-8-5(4)7/h1,6H,2-3H2 |
| InChIKey | XFPIXDKTZHFDLO-UHFFFAOYSA-N |
| Molecular Weight | 114.100 g/mol |
| SMILES | C=1(C(OCC1)=O)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966435 |