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(E)-1-(2-(4-Chlorostyryl)phenyl)butan-1-one

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

(E)-1-(2-(4-Chlorostyryl)phenyl)butan-1-one
SpectraBase Compound ID D7YldlRnuTL
InChI InChI=1S/C18H17ClO/c1-2-5-18(20)17-7-4-3-6-15(17)11-8-14-9-12-16(19)13-10-14/h3-4,6-13H,2,5H2,1H3/b11-8+
InChIKey SGFKGYMZBJWUJX-DHZHZOJOSA-N
Mol Weight 284.79 g/mol
Molecular Formula C18H17ClO
Exact Mass 284.096793 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FGKd2Rc9XYb
Name (E)-1-(2-(4-Chlorostyryl)phenyl)butan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.096792866 u
Formula C18H17ClO
InChI InChI=1S/C18H17ClO/c1-2-5-18(20)17-7-4-3-6-15(17)11-8-14-9-12-16(19)13-10-14/h3-4,6-13H,2,5H2,1H3/b11-8+
InChIKey SGFKGYMZBJWUJX-DHZHZOJOSA-N
SMILES C=1(\C=C\C=2C(C(=O)CCC)=CC=CC2)C=CC(Cl)=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.891521