| SpectraBase Compound ID | FDGo5HJGI5f |
|---|---|
| InChI | InChI=1S/C9H6Cl2O/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H/b6-5+ |
| InChIKey | ZAUFNZFFWDQKPL-AATRIKPKSA-N |
| Mol Weight | 201.05 g/mol |
| Molecular Formula | C9H6Cl2O |
| Exact Mass | 199.97957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7WeBgg4kFnI |
|---|---|
| Name | 2-Chlorocinnamoyl chloride |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.979570212 u |
| Formula | C9H6Cl2O |
| InChI | InChI=1S/C9H6Cl2O/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H/b6-5+ |
| InChIKey | ZAUFNZFFWDQKPL-AATRIKPKSA-N |
| Molecular Weight | 201.052 g/mol |
| SMILES | C1(Cl)=C(\C=C\C(=O)Cl)C=CC=C1 |