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3-(2,3,4-Trichlorophenyl)-1-benzopyran-2-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

3-(2,3,4-Trichlorophenyl)-1-benzopyran-2-one
SpectraBase Compound ID AlhsLqbzUgc
InChI InChI=1S/C15H7Cl3O2/c16-11-6-5-9(13(17)14(11)18)10-7-8-3-1-2-4-12(8)20-15(10)19/h1-7H
InChIKey YQICPOGAWKUNGZ-UHFFFAOYSA-N
Mol Weight 325.58 g/mol
Molecular Formula C15H7Cl3O2
Exact Mass 323.951163 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7p3cOW09uWh
Name 3-(2,3,4-Trichlorophenyl)-1-benzopyran-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.951162563 u
Formula C15H7Cl3O2
InChI InChI=1S/C15H7Cl3O2/c16-11-6-5-9(13(17)14(11)18)10-7-8-3-1-2-4-12(8)20-15(10)19/h1-7H
InChIKey YQICPOGAWKUNGZ-UHFFFAOYSA-N
Molecular Weight 325.578 g/mol
SMILES C=1(C(OC=2C(C1)=CC=CC2)=O)C=1C(=C(Cl)C(=CC1)Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934541