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1,4-Bis(3',4'-dimethoxyphenyl)-4-methoxybutan-1-one

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

1,4-Bis(3',4'-dimethoxyphenyl)-4-methoxybutan-1-one
SpectraBase Compound ID DtPeC7Phfzs
InChI InChI=1S/C21H26O6/c1-23-17(15-7-10-19(25-3)21(13-15)27-5)11-8-16(22)14-6-9-18(24-2)20(12-14)26-4/h6-7,9-10,12-13,17H,8,11H2,1-5H3
InChIKey BBIGVGTWWRLDPV-UHFFFAOYSA-N
Mol Weight 374.43 g/mol
Molecular Formula C21H26O6
Exact Mass 374.172939 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7KNhoUtWRnU
Name 1,4-bis(3',4'-Dimethoxyphenyl)-4-methoxybutan-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.172938551 u
Formula C21H26O6
InChI InChI=1S/C21H26O6/c1-23-17(15-7-10-19(25-3)21(13-15)27-5)11-8-16(22)14-6-9-18(24-2)20(12-14)26-4/h6-7,9-10,12-13,17H,8,11H2,1-5H3
InChIKey BBIGVGTWWRLDPV-UHFFFAOYSA-N
Molecular Weight 374.433 g/mol
SMILES C=1(C=C(OC)C(=CC1)OC)C(CCC(C=1C=C(OC)C(=CC1)OC)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965828