| SpectraBase Compound ID | IAvKTLl3fwQ |
|---|---|
| InChI | InChI=1S/C8H10O5/c1-5(9)12-4-7-6(11-2)3-8(10)13-7/h3,7H,4H2,1-2H3 |
| InChIKey | KOIWMKOIYQMUBA-UHFFFAOYSA-N |
| Mol Weight | 186.16 g/mol |
| Molecular Formula | C8H10O5 |
| Exact Mass | 186.052823 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ie3KDgKMwyU |
|---|---|
| Name | 2-(Hydroxymethyl)-3-methoxy-2H-furan-5-one, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.052823417 u |
| Formula | C8H10O5 |
| InChI | InChI=1S/C8H10O5/c1-5(9)12-4-7-6(11-2)3-8(10)13-7/h3,7H,4H2,1-2H3 |
| InChIKey | KOIWMKOIYQMUBA-UHFFFAOYSA-N |
| Molecular Weight | 186.163 g/mol |
| SMILES | C(OC(=O)C)C1C(OC)=CC(=O)O1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983187 |