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3-Trifluoromethyl-3',4'-dichlorobenzophenone
SpectraBase Compound ID 2zzCD3ZCdqR
InChI InChI=1S/C14H7Cl2F3O/c15-11-5-4-9(7-12(11)16)13(20)8-2-1-3-10(6-8)14(17,18)19/h1-7H
InChIKey RFNRBFCXUFMYRI-UHFFFAOYSA-N
Mol Weight 319.11 g/mol
Molecular Formula C14H7Cl2F3O
Exact Mass 317.982605 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EXx0Yf13SHr
Name 3-Trifluoromethyl-3',4'-dichlorobenzophenone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.982604733 u
Formula C14H7Cl2F3O
InChI InChI=1S/C14H7Cl2F3O/c15-11-5-4-9(7-12(11)16)13(20)8-2-1-3-10(6-8)14(17,18)19/h1-7H
InChIKey RFNRBFCXUFMYRI-UHFFFAOYSA-N
Molecular Weight 319.110 g/mol
SMILES C1=C(C(C2=CC=C(C(=C2)Cl)Cl)=O)C=CC=C1C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939095