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4-Chloro-2-methoxybenzyl alcohol, N-butyl ether

View entire compound with spectra: 1 FTIR

4-Chloro-2-methoxybenzyl alcohol, N-butyl ether
SpectraBase Compound ID 99CnlrJsZIf
InChI InChI=1S/C12H17ClO2/c1-3-4-7-15-9-10-5-6-11(13)8-12(10)14-2/h5-6,8H,3-4,7,9H2,1-2H3
InChIKey BWCBOCDMGYQLRQ-UHFFFAOYSA-N
Mol Weight 228.72 g/mol
Molecular Formula C12H17ClO2
Exact Mass 228.091707 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IyiqnMqgnn2
Name 4-Chloro-2-methoxybenzyl alcohol, N-butyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.091707485 u
Formula C12H17ClO2
InChI InChI=1S/C12H17ClO2/c1-3-4-7-15-9-10-5-6-11(13)8-12(10)14-2/h5-6,8H,3-4,7,9H2,1-2H3
InChIKey BWCBOCDMGYQLRQ-UHFFFAOYSA-N
Molecular Weight 228.719 g/mol
SMILES C1=C(C=CC(=C1OC)COCCCC)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908961