| SpectraBase Compound ID | COwd94pnoRc |
|---|---|
| InChI | InChI=1S/C10H6Cl2O2/c1-2-5-14-10(13)8-4-3-7(11)6-9(8)12/h1,3-4,6H,5H2 |
| InChIKey | WNHVLEWRIMZIIL-UHFFFAOYSA-N |
| Mol Weight | 229.06 g/mol |
| Molecular Formula | C10H6Cl2O2 |
| Exact Mass | 227.974485 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2LQeVd9Snfl |
|---|---|
| Name | Benzoic acid, 2,4-dichloro-, 2-propynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.974484831 u |
| Formula | C10H6Cl2O2 |
| InChI | InChI=1S/C10H6Cl2O2/c1-2-5-14-10(13)8-4-3-7(11)6-9(8)12/h1,3-4,6H,5H2 |
| InChIKey | WNHVLEWRIMZIIL-UHFFFAOYSA-N |
| Molecular Weight | 229.062 g/mol |
| SMILES | C1(=C(C=CC(=C1)Cl)C(OCC#C)=O)Cl |