SpectraBase Spectrum ID |
LmdYW3fH5LG |
Name |
6-Chloro-3-[3,4-dichlorophenyl]-1-tetralone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
323.987548073 u |
Formula |
C16H11Cl3O |
InChI |
InChI=1S/C16H11Cl3O/c17-12-2-3-13-11(6-12)5-10(8-16(13)20)9-1-4-14(18)15(19)7-9/h1-4,6-7,10H,5,8H2 |
InChIKey |
ONQMSWFSCGUYEU-UHFFFAOYSA-N |
Molecular Weight |
325.622 g/mol |
SMILES |
C12=C(C=C(C=C2)Cl)CC(CC1=O)C1=CC(=C(C=C1)Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943336 |