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(E)-1-(2-Chlorophenyl)-4-phenylbut-1-en-3-yne

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(E)-1-(2-Chlorophenyl)-4-phenylbut-1-en-3-yne
SpectraBase Compound ID 9aYlZsKQGcr
InChI InChI=1S/C16H11Cl/c17-16-13-7-6-12-15(16)11-5-4-10-14-8-2-1-3-9-14/h1-3,5-9,11-13H/b11-5+
InChIKey GYRIQPLYXSSOGR-VZUCSPMQSA-N
Mol Weight 238.72 g/mol
Molecular Formula C16H11Cl
Exact Mass 238.054928 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Kq1KFxEaowa
Name (E)-1-(2-Chlorophenyl)-4-phenylbut-1-en-3-yne
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.054928054 u
Formula C16H11Cl
InChI InChI=1S/C16H11Cl/c17-16-13-7-6-12-15(16)11-5-4-10-14-8-2-1-3-9-14/h1-3,5-9,11-13H/b11-5+
InChIKey GYRIQPLYXSSOGR-VZUCSPMQSA-N
Molecular Weight 238.717 g/mol
SMILES C1=CC=CC=C1C#C\C=C\C1=C(Cl)C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869257