| SpectraBase Spectrum ID |
5nQOeKcyMWC |
| Name |
1-(p-Chlorophenoxy)-4-(2,4-dichlorophenoxy)-2-butyne |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.982462692 u |
| Formula |
C16H11Cl3O2 |
| InChI |
InChI=1S/C16H11Cl3O2/c17-12-3-6-14(7-4-12)20-9-1-2-10-21-16-8-5-13(18)11-15(16)19/h3-8,11H,9-10H2 |
| InChIKey |
DVCPJEHMFPTOJU-UHFFFAOYSA-N |
| Molecular Weight |
341.621 g/mol |
| SMILES |
C=1C(=C(C=C(C1)Cl)Cl)OCC#CCOC=1C=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.95148 |
