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1,2-bis(3,4,5-Trimethoxyphenyl)chloroethane

View entire compound with spectra: 1 FTIR

1,2-bis(3,4,5-Trimethoxyphenyl)chloroethane
SpectraBase Compound ID 1NruKzBbHWS
InChI InChI=1S/C20H25ClO6/c1-22-15-8-12(9-16(23-2)19(15)26-5)7-14(21)13-10-17(24-3)20(27-6)18(11-13)25-4/h8-11,14H,7H2,1-6H3
InChIKey PSEMKSPODNKXMJ-UHFFFAOYSA-N
Mol Weight 396.87 g/mol
Molecular Formula C20H25ClO6
Exact Mass 396.133966 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7HYBPu0mXCG
Name 1,2-bis(3,4,5-Trimethoxyphenyl)chloroethane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.133966219 u
Formula C20H25ClO6
InChI InChI=1S/C20H25ClO6/c1-22-15-8-12(9-16(23-2)19(15)26-5)7-14(21)13-10-17(24-3)20(27-6)18(11-13)25-4/h8-11,14H,7H2,1-6H3
InChIKey PSEMKSPODNKXMJ-UHFFFAOYSA-N
Molecular Weight 396.867 g/mol
SMILES C1=C(C=C(C(=C1OC)OC)OC)CC(Cl)C1=CC(=C(C(=C1)OC)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950599