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3,4-Dimethoxyphenol, 3-methylbutyl ether

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3,4-Dimethoxyphenol, 3-methylbutyl ether
SpectraBase Compound ID 4kyCSQ5MW5J
InChI InChI=1S/C13H20O3/c1-10(2)7-8-16-11-5-6-12(14-3)13(9-11)15-4/h5-6,9-10H,7-8H2,1-4H3
InChIKey WECIQYLUOSYKSE-UHFFFAOYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9MlLwdYFM2b
Name 3,4-Dimethoxyphenol, 3-methylbutyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.141244501 u
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-10(2)7-8-16-11-5-6-12(14-3)13(9-11)15-4/h5-6,9-10H,7-8H2,1-4H3
InChIKey WECIQYLUOSYKSE-UHFFFAOYSA-N
Molecular Weight 224.300 g/mol
SMILES C1=C(C(=CC=C1OCCC(C)C)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956938