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2,4,5-Trichlorophenyl cinnamate

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2,4,5-Trichlorophenyl cinnamate
SpectraBase Compound ID BXE2dlp8vtS
InChI InChI=1S/C15H9Cl3O2/c16-11-8-13(18)14(9-12(11)17)20-15(19)7-6-10-4-2-1-3-5-10/h1-9H/b7-6+
InChIKey LQCQJIGTNNLUQP-VOTSOKGWSA-N
Mol Weight 327.59 g/mol
Molecular Formula C15H9Cl3O2
Exact Mass 325.966813 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BqCLHxiTOLC
Name 2,4,5-Trichlorophenyl cinnamate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 325.966812628 u
Formula C15H9Cl3O2
InChI InChI=1S/C15H9Cl3O2/c16-11-8-13(18)14(9-12(11)17)20-15(19)7-6-10-4-2-1-3-5-10/h1-9H/b7-6+
InChIKey LQCQJIGTNNLUQP-VOTSOKGWSA-N
Molecular Weight 327.594 g/mol
SMILES C1=C(C=CC=C1)\C=C\C(OC1=C(C=C(C(=C1)Cl)Cl)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.846598