| SpectraBase Compound ID | DC2GtIEOZTi |
|---|---|
| InChI | InChI=1S/C9H8O4/c10-5-7-2-1-3-8(4-7)13-6-9(11)12/h1-5H,6H2,(H,11,12) |
| InChIKey | KHBBQMHTRDEPCR-UHFFFAOYSA-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 | 6urpeGnrgnq |
|---|---|
| Name | 3-Formylphenoxyacetic 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/c10-5-7-2-1-3-8(4-7)13-6-9(11)12/h1-5H,6H2,(H,11,12) |
| InChIKey | KHBBQMHTRDEPCR-UHFFFAOYSA-N |
| Molecular Weight | 180.159 g/mol |
| SMILES | C1=C(C=C(C=C1)C=O)OCC(=O)O |