| SpectraBase Compound ID | BgnpSRvEgVA |
|---|---|
| InChI | InChI=1S/C9H8O4/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-5,10-11H,(H,12,13)/b8-5- |
| InChIKey | BKXTVGXWGYNFNV-YVMONPNESA-N |
| Mol Weight | 180.16 g/mol |
| Molecular Formula | C9H8O4 |
| Exact Mass | 180.042259 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6wYDIyHzW2R |
|---|---|
| Name | 2-Hydroxy-3-(3-hydroxyphenyl)prop-2-enoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.042258734 u |
| Formula | C9H8O4 |
| InChI | InChI=1S/C9H8O4/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-5,10-11H,(H,12,13)/b8-5- |
| InChIKey | BKXTVGXWGYNFNV-YVMONPNESA-N |
| Molecular Weight | 180.159 g/mol |
| SMILES | C(\C(=C\C=1C=C(C=CC1)O)O)(=O)O |