| SpectraBase Compound ID | 8QVhInGkYtd |
|---|---|
| InChI | InChI=1S/C7H8O5/c8-2-4-1-5(10)7(11)6(3-9)12-4/h1,8-9,11H,2-3H2 |
| InChIKey | YZUXYQQFVNGYCA-UHFFFAOYSA-N |
| Mol Weight | 172.14 g/mol |
| Molecular Formula | C7H8O5 |
| Exact Mass | 172.037173 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | vMiHZNFQTs |
|---|---|
| Name | 3-Hydroxy-2,6-bis(hydroxymethyl)-.gamma.-pyrone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.037173353 u |
| Formula | C7H8O5 |
| InChI | InChI=1S/C7H8O5/c8-2-4-1-5(10)7(11)6(3-9)12-4/h1,8-9,11H,2-3H2 |
| InChIKey | YZUXYQQFVNGYCA-UHFFFAOYSA-N |
| Molecular Weight | 172.136 g/mol |
| SMILES | C1(=C(C(=O)C=C(O1)CO)O)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.917278 |