| SpectraBase Compound ID | 7iIHuJF2bsh |
|---|---|
| InChI | InChI=1S/C8H12O3/c1-2-3-4-7-6(9)5-8(10)11-7/h5,7,9H,2-4H2,1H3 |
| InChIKey | UITPKYFPXAXJHS-UHFFFAOYSA-N |
| Mol Weight | 156.18 g/mol |
| Molecular Formula | C8H12O3 |
| Exact Mass | 156.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7neuBqRgPrr |
|---|---|
| Name | 4-Hydroxy-5-butylfuran-2(5H)-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.078644243 u |
| Formula | C8H12O3 |
| InChI | InChI=1S/C8H12O3/c1-2-3-4-7-6(9)5-8(10)11-7/h5,7,9H,2-4H2,1H3 |
| InChIKey | UITPKYFPXAXJHS-UHFFFAOYSA-N |
| Molecular Weight | 156.181 g/mol |
| SMILES | C1(OC(C(=C1)O)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932079 |