| SpectraBase Spectrum ID |
EwOI83y4cT |
| Name |
4-Hydroxy-2',3,5'-trichlorobiphenyl, trimethylacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.013762821 u |
| Formula |
C17H15Cl3O2 |
| InChI |
InChI=1S/C17H15Cl3O2/c1-17(2,3)16(21)22-15-7-4-10(8-14(15)20)12-9-11(18)5-6-13(12)19/h4-9H,1-3H3 |
| InChIKey |
LTSGQPONJWNVIT-UHFFFAOYSA-N |
| Molecular Weight |
357.664 g/mol |
| SMILES |
C1(C2=C(C=CC(=C2)Cl)Cl)=CC(=C(C=C1)OC(C(C)(C)C)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837096 |
