| SpectraBase Spectrum ID |
5rOBOWbq8cm |
| Name |
1,1-Dichloro-5-[3,4-(methylenedioxy)phenyl]-1-penten-4-yn-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
267.969399450 u |
| Formula |
C12H6Cl2O3 |
| InChI |
InChI=1S/C12H6Cl2O3/c13-12(14)6-9(15)3-1-8-2-4-10-11(5-8)17-7-16-10/h2,4-6H,7H2 |
| InChIKey |
OUYKWSAMKIWSEL-UHFFFAOYSA-N |
| Molecular Weight |
269.083 g/mol |
| SMILES |
C=1C(=CC=C2OCOC12)C#CC(=O)C=C(Cl)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.835993 |
![1,1-Dichloro-5-[3,4-(methylenedioxy)phenyl]-1-penten-4-yn-3-one](/api/spectrum/5rOBOWbq8cm/structure.png?h=300&w=458 "1,1-Dichloro-5-[3,4-(methylenedioxy)phenyl]-1-penten-4-yn-3-one")
