| SpectraBase Compound ID | IGXsvnt5fPW |
|---|---|
| InChI | InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-5,10-11H,(H,12,13)/b8-5- |
| InChIKey | GQYBCIHRWMPOOF-YVMONPNESA-N |
| Mol Weight | 180.16 g/mol |
| Molecular Formula | C9H8O4 |
| Exact Mass | 180.042259 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8y3nbrkIdFx |
|---|---|
| Name | para-Hydroxyphenylpyruvic-acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.042258734 u |
| Formula | C9H8O4 |
| InChI | InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-5,10-11H,(H,12,13)/b8-5- |
| InChIKey | GQYBCIHRWMPOOF-YVMONPNESA-N |
| Molecular Weight | 180.159 g/mol |
| SMILES | C(O)(=O)\C(O)=C\C1=CC=C(O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95372 |