| SpectraBase Spectrum ID |
DgvqWG9RZPn |
| Name |
4,5-Dimethoxy-2,3,6,3',4'-pentachlorobiphenyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
383.904518028 u |
| Formula |
C14H9Cl5O2 |
| InChI |
InChI=1S/C14H9Cl5O2/c1-20-13-11(18)9(10(17)12(19)14(13)21-2)6-3-4-7(15)8(16)5-6/h3-5H,1-2H3 |
| InChIKey |
SSXULSHVCVLHPT-UHFFFAOYSA-N |
| Molecular Weight |
386.489 g/mol |
| SMILES |
C1(=C(C(Cl)=C(C(=C1Cl)OC)OC)Cl)C1=CC(Cl)=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833841 |
