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Diphenylbutanone-dimethylcatechol

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

Diphenylbutanone-dimethylcatechol
SpectraBase Compound ID DivRhyCekXY
InChI InChI=1S/C18H20O3/c1-13(19)11-16(14-7-5-4-6-8-14)15-9-10-17(20-2)18(12-15)21-3/h4-10,12,16H,11H2,1-3H3
InChIKey XTAVOCJTNYTHGM-UHFFFAOYSA-N
Mol Weight 284.36 g/mol
Molecular Formula C18H20O3
Exact Mass 284.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8IhJebi6bVL
Name Diphenylbutanone-dimethylcatechol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.141244501 u
Formula C18H20O3
InChI InChI=1S/C18H20O3/c1-13(19)11-16(14-7-5-4-6-8-14)15-9-10-17(20-2)18(12-15)21-3/h4-10,12,16H,11H2,1-3H3
InChIKey XTAVOCJTNYTHGM-UHFFFAOYSA-N
SMILES C=1(C(CC(=O)C)C=2C=CC=CC2)C=C(OC)C(=CC1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974419