| SpectraBase Spectrum ID |
9BRRqSaGLpn |
| Name |
3-Hydroxy-2,2',6,6'-tetrachlorobiphenyl, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.927840296 u |
| Formula |
C14H8Cl4O2 |
| InChI |
InChI=1S/C14H8Cl4O2/c1-7(19)20-11-6-5-10(17)13(14(11)18)12-8(15)3-2-4-9(12)16/h2-6H,1H3 |
| InChIKey |
LICLJYBHVCQMFA-UHFFFAOYSA-N |
| Molecular Weight |
350.028 g/mol |
| SMILES |
C1(C2=C(C=CC=C2Cl)Cl)=C(C(=CC=C1Cl)OC(C)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913651 |
