| SpectraBase Spectrum ID |
LUHoATObMSF |
| Name |
2,4-Dichlorophenyl 2-propynyl ether; ether, 2,4-dichlorophenyl 2-propynyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
199.979570212 u |
| Formula |
C9H6Cl2O |
| InChI |
InChI=1S/C9H6Cl2O/c1-2-5-12-9-4-3-7(10)6-8(9)11/h1,3-4,6H,5H2 |
| InChIKey |
KEIKGHHJUQTGSZ-UHFFFAOYSA-N |
| Molecular Weight |
201.052 g/mol |
| SMILES |
C1(=C(C=C(C=C1)Cl)Cl)OCC#C |
| Spectrum/Structure Validation Score (Raman) |
0.837234 |
