| SpectraBase Compound ID | 5NVuZQ0s4xp |
|---|---|
| InChI | InChI=1S/C9H6Cl2O/c10-8-4-3-7(2-1-5-12)9(11)6-8/h1-6H/b2-1+ |
| InChIKey | XTFADZFHEYPMHK-OWOJBTEDSA-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 | 2CisIf6aGgu |
|---|---|
| Name | 2-Propenal, 3-(2,4-dichlorophenyl)- |
| 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/c10-8-4-3-7(2-1-5-12)9(11)6-8/h1-6H/b2-1+ |
| InChIKey | XTFADZFHEYPMHK-OWOJBTEDSA-N |
| Molecular Weight | 201.052 g/mol |
| SMILES | C1(=CC=C(C=C1Cl)Cl)\C=C\C=O |