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

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

1-(3',4'-Dimethoxyphenyl)-3-oxo-5-phenyl-4-penten-1-yne
SpectraBase Compound ID KNsdtWRJX2U
InChI InChI=1S/C19H16O3/c1-21-18-13-10-16(14-19(18)22-2)9-12-17(20)11-8-15-6-4-3-5-7-15/h3-8,10-11,13-14H,1-2H3/b11-8+
InChIKey PBGCVRPLNRMYFO-DHZHZOJOSA-N
Mol Weight 292.33 g/mol
Molecular Formula C19H16O3
Exact Mass 292.109944 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5xYDV7X0y6Q
Name 1-(3',4'-Dimethoxyphenyl)-3-oxo-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 292.109944372 u
Formula C19H16O3
InChI InChI=1S/C19H16O3/c1-21-18-13-10-16(14-19(18)22-2)9-12-17(20)11-8-15-6-4-3-5-7-15/h3-8,10-11,13-14H,1-2H3/b11-8+
InChIKey PBGCVRPLNRMYFO-DHZHZOJOSA-N
SMILES C(#CC=1C=C(OC)C(=CC1)OC)C(\C=C\C1=CC=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.981976