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3-(3',4'-Dimethoxybenzyl)-6-methoxy-2-tetralone

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

3-(3',4'-Dimethoxybenzyl)-6-methoxy-2-tetralone
SpectraBase Compound ID 58YtcDPF6Dh
InChI InChI=1S/C20H22O4/c1-22-17-6-5-14-12-18(21)16(10-15(14)11-17)8-13-4-7-19(23-2)20(9-13)24-3/h4-7,9,11,16H,8,10,12H2,1-3H3
InChIKey RXZSUGYIRWPWET-UHFFFAOYSA-N
Mol Weight 326.39 g/mol
Molecular Formula C20H22O4
Exact Mass 326.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AZK6jcAYxMP
Name 3-(3',4'-Dimethoxybenzyl)-6-methoxy-2-tetralone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.151809184 u
Formula C20H22O4
InChI InChI=1S/C20H22O4/c1-22-17-6-5-14-12-18(21)16(10-15(14)11-17)8-13-4-7-19(23-2)20(9-13)24-3/h4-7,9,11,16H,8,10,12H2,1-3H3
InChIKey RXZSUGYIRWPWET-UHFFFAOYSA-N
Molecular Weight 326.392 g/mol
SMILES C1(=O)CC=2C(CC1CC1=CC(OC)=C(OC)C=C1)=CC(OC)=CC2
Spectrum/Structure Validation Score (Vapor Phase IR) 0.839553