| SpectraBase Compound ID | CdEptbaD2Xq |
|---|---|
| InChI | InChI=1S/C17H12Cl2O4/c1-10(20)17-14(21)3-2-4-15(17)23-16(22)8-6-11-5-7-12(18)9-13(11)19/h2-9,21H,1H3/b8-6+ |
| InChIKey | RVMHMTDOQJSKGB-SOFGYWHQSA-N |
| Mol Weight | 351.19 g/mol |
| Molecular Formula | C17H12Cl2O4 |
| Exact Mass | 350.011264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4sCUnV1IXCP |
|---|---|
| Name | 2'-(2,4-Dichlorocinnamoyloxy)-6'-hydroxyacetophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.011264262 u |
| Formula | C17H12Cl2O4 |
| InChI | InChI=1S/C17H12Cl2O4/c1-10(20)17-14(21)3-2-4-15(17)23-16(22)8-6-11-5-7-12(18)9-13(11)19/h2-9,21H,1H3/b8-6+ |
| InChIKey | RVMHMTDOQJSKGB-SOFGYWHQSA-N |
| Molecular Weight | 351.185 g/mol |
| SMILES | C=1(C(OC(\C=C\C=2C(=CC(=CC2)Cl)Cl)=O)=CC=CC1O)C(=O)C |