| SpectraBase Compound ID | EycLO5EieOf |
|---|---|
| InChI | InChI=1S/C16H10Cl2O3/c17-12-4-1-10(7-13(12)18)2-5-14(19)11-3-6-15-16(8-11)21-9-20-15/h1-8H,9H2/b5-2+ |
| InChIKey | KSMNIYKXKSRXHJ-GORDUTHDSA-N |
| Mol Weight | 321.16 g/mol |
| Molecular Formula | C16H10Cl2O3 |
| Exact Mass | 320.0007 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6QcZtBjX0I1 |
|---|---|
| Name | 1-(1,3-Benzodioxol-5-yl)-3-(3,4-dichlorophenyl)-2-propen-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.000699579 u |
| Formula | C16H10Cl2O3 |
| InChI | InChI=1S/C16H10Cl2O3/c17-12-4-1-10(7-13(12)18)2-5-14(19)11-3-6-15-16(8-11)21-9-20-15/h1-8H,9H2/b5-2+ |
| InChIKey | KSMNIYKXKSRXHJ-GORDUTHDSA-N |
| Molecular Weight | 321.159 g/mol |
| SMILES | C(\C=C\C1=CC(Cl)=C(C=C1)Cl)(C=1C=C2OCOC2=CC1)=O |