| SpectraBase Compound ID | 6sUYNfUCLAc |
|---|---|
| InChI | InChI=1S/C8H7ClO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11) |
| InChIKey | XSBUXVWJQVTYLC-UHFFFAOYSA-N |
| Mol Weight | 186.59 g/mol |
| Molecular Formula | C8H7ClO3 |
| Exact Mass | 186.008372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E1LwfFdSBE5 |
|---|---|
| Name | 3-Chlorophenoxyacetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.008371782 u |
| Formula | C8H7ClO3 |
| InChI | InChI=1S/C8H7ClO3/c9-6-2-1-3-7(4-6)12-5-8(10)11/h1-4H,5H2,(H,10,11) |
| InChIKey | XSBUXVWJQVTYLC-UHFFFAOYSA-N |
| Molecular Weight | 186.594 g/mol |
| SMILES | OC(COC=1C=C(C=CC1)Cl)=O |