SpectraBase Spectrum ID |
AuOlP0eKQjH |
Name |
2-Hydroxy-2',5,5'-trichlorobiphenyl, acetate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
313.966812628 u |
Formula |
C14H9Cl3O2 |
InChI |
InChI=1S/C14H9Cl3O2/c1-8(18)19-14-5-3-10(16)7-12(14)11-6-9(15)2-4-13(11)17/h2-7H,1H3 |
InChIKey |
MURGNMOZQRYBDZ-UHFFFAOYSA-N |
Molecular Weight |
315.583 g/mol |
SMILES |
C1(C2=C(C=CC(=C2)Cl)Cl)=C(C=CC(=C1)Cl)OC(C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862764 |