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(E)-1-(3',4'-Dimethoxyphenyl)-3-hydroxy-5-phenyl-4-penten-1-yne

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

(E)-1-(3',4'-Dimethoxyphenyl)-3-hydroxy-5-phenyl-4-penten-1-yne
SpectraBase Compound ID KXJpIHulK8b
InChI InChI=1S/C19H18O3/c1-21-18-13-10-16(14-19(18)22-2)9-12-17(20)11-8-15-6-4-3-5-7-15/h3-8,10-11,13-14,17,20H,1-2H3/b11-8+
InChIKey JVMDRZOFLPNBAH-DHZHZOJOSA-N
Mol Weight 294.35 g/mol
Molecular Formula C19H18O3
Exact Mass 294.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GPcjldbreHu
Name (E)-1-(3',4'-Dimethoxyphenyl)-3-hydroxy-5-phenyl-4-penten-1-yne
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.125594437 u
Formula C19H18O3
InChI InChI=1S/C19H18O3/c1-21-18-13-10-16(14-19(18)22-2)9-12-17(20)11-8-15-6-4-3-5-7-15/h3-8,10-11,13-14,17,20H,1-2H3/b11-8+
InChIKey JVMDRZOFLPNBAH-DHZHZOJOSA-N
SMILES C(#CC(\C=C\C1=CC=CC=C1)O)C=1C=C(OC)C(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.981462