| SpectraBase Spectrum ID |
Iyej8tAvEwP |
| Name |
1-(1,3-Benzodioxol-5-yl)-3-(3,4-dichlorophenyl)-2-propen-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832536 |
