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1-(3,4,5-Trimethoxyphenyl)-3-phenylpropan-1-one

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

1-(3,4,5-Trimethoxyphenyl)-3-phenylpropan-1-one
SpectraBase Compound ID JEGSQQoi8sG
InChI InChI=1S/C18H20O4/c1-20-16-11-14(12-17(21-2)18(16)22-3)15(19)10-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3
InChIKey IDMRIHIVQMTDJI-UHFFFAOYSA-N
Mol Weight 300.35 g/mol
Molecular Formula C18H20O4
Exact Mass 300.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6vuoWhXwVu7
Name 1-(3,4,5-Trimethoxyphenyl)-3-phenylpropan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.136159120 u
Formula C18H20O4
InChI InChI=1S/C18H20O4/c1-20-16-11-14(12-17(21-2)18(16)22-3)15(19)10-9-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3
InChIKey IDMRIHIVQMTDJI-UHFFFAOYSA-N
Molecular Weight 300.354 g/mol
SMILES C(CCC=1C=CC=CC1)(=O)C=1C=C(C(=C(C1)OC)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.843257