| SpectraBase Compound ID | IoyBFqbEfUd |
|---|---|
| InChI | InChI=1S/C7H6O5/c1-3(8)6-4(9)2-5(10)12-7(6)11/h9H,2H2,1H3 |
| InChIKey | ZNEFRBBRICTYMQ-UHFFFAOYSA-N |
| Mol Weight | 170.12 g/mol |
| Molecular Formula | C7H6O5 |
| Exact Mass | 170.021523 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6cf0hqadQS5 |
|---|---|
| Name | 2H-Pyran-2,6(3H)-dione, 5-acetyl-4-hydroxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.021523288 u |
| Formula | C7H6O5 |
| InChI | InChI=1S/C7H6O5/c1-3(8)6-4(9)2-5(10)12-7(6)11/h9H,2H2,1H3 |
| InChIKey | ZNEFRBBRICTYMQ-UHFFFAOYSA-N |
| Molecular Weight | 170.120 g/mol |
| SMILES | C=1(C(OC(CC1O)=O)=O)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97839 |