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1-(1-Hydroxybutyl)-2,5-dimethoxybenzene

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

1-(1-Hydroxybutyl)-2,5-dimethoxybenzene
SpectraBase Compound ID 2UPZFSo66gC
InChI InChI=1S/C12H18O3/c1-4-5-11(13)10-8-9(14-2)6-7-12(10)15-3/h6-8,11,13H,4-5H2,1-3H3
InChIKey MKRNUXCCGJVHPA-UHFFFAOYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DXefuZgZSuM
Name 1-(1-Hydroxybutyl)-2,5-dimethoxybenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.125594437 u
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-4-5-11(13)10-8-9(14-2)6-7-12(10)15-3/h6-8,11,13H,4-5H2,1-3H3
InChIKey MKRNUXCCGJVHPA-UHFFFAOYSA-N
Molecular Weight 210.273 g/mol
SMILES C1=C(C(=CC(=C1)OC)C(O)CCC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97634