| SpectraBase Compound ID | JuYvz6DOhNB |
|---|---|
| InChI | InChI=1S/C8H7ClO3/c9-5-8(11)12-7-3-1-2-6(10)4-7/h1-4,10H,5H2 |
| InChIKey | CJROZDJBKZQNES-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 | 2cggTNFAmIN |
|---|---|
| Name | 1,3-Benzenediol, o-chloroacetyl- |
| 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/c9-5-8(11)12-7-3-1-2-6(10)4-7/h1-4,10H,5H2 |
| InChIKey | CJROZDJBKZQNES-UHFFFAOYSA-N |
| Molecular Weight | 186.594 g/mol |
| SMILES | C1(=CC=CC(=C1)OC(CCl)=O)O |