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6-Chloro-3-[3,4-dichlorophenyl]-1-tetralone
SpectraBase Compound ID 9XakJCkGPEK
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
Mol Weight 325.62 g/mol
Molecular Formula C16H11Cl3O
Exact Mass 323.987548 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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