| SpectraBase Compound ID | 4idXB5bM9eQ |
|---|---|
| InChI | InChI=1S/C19H18Cl2O2/c1-19(2,3)23-18(22)12-17(13-4-8-15(20)9-5-13)14-6-10-16(21)11-7-14/h4-12H,1-3H3 |
| InChIKey | RWDXJEXWCXRGEA-UHFFFAOYSA-N |
| Mol Weight | 349.26 g/mol |
| Molecular Formula | C19H18Cl2O2 |
| Exact Mass | 348.068385 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | lDf80JHULM |
|---|---|
| Name | 3,3-bis(4-Chlorophenyl)-2-propenoic acid tert-butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.068385218 u |
| Formula | C19H18Cl2O2 |
| InChI | InChI=1S/C19H18Cl2O2/c1-19(2,3)23-18(22)12-17(13-4-8-15(20)9-5-13)14-6-10-16(21)11-7-14/h4-12H,1-3H3 |
| InChIKey | RWDXJEXWCXRGEA-UHFFFAOYSA-N |
| Molecular Weight | 349.257 g/mol |
| SMILES | C(C=C(C=1C=CC(=CC1)Cl)C=1C=CC(=CC1)Cl)(=O)OC(C)(C)C |