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1-(3,4-Dimethoxyphenyl)-5-phenyl-pentane-2,4-dione

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

1-(3,4-Dimethoxyphenyl)-5-phenyl-pentane-2,4-dione
SpectraBase Compound ID 4JF1OJanGnn
InChI InChI=1S/C19H20O4/c1-22-18-9-8-15(12-19(18)23-2)11-17(21)13-16(20)10-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3
InChIKey ADOMYJRVTXOCQD-UHFFFAOYSA-N
Mol Weight 312.37 g/mol
Molecular Formula C19H20O4
Exact Mass 312.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7YUH82Bni11
Name 1-(3,4-Dimethoxyphenyl)-5-phenyl-pentane-2,4-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.136159120 u
Formula C19H20O4
InChI InChI=1S/C19H20O4/c1-22-18-9-8-15(12-19(18)23-2)11-17(21)13-16(20)10-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3
InChIKey ADOMYJRVTXOCQD-UHFFFAOYSA-N
Molecular Weight 312.365 g/mol
SMILES C=1(C(=CC=C(C1)CC(CC(=O)CC=1C=CC=CC1)=O)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954743