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2-(1-Butyl)-4-chloro-3-methoxy-5,6-dimethylphenol

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

2-(1-Butyl)-4-chloro-3-methoxy-5,6-dimethylphenol
SpectraBase Compound ID JQLpHPCx4mD
InChI InChI=1S/C13H19ClO2/c1-5-6-7-10-12(15)9(3)8(2)11(14)13(10)16-4/h15H,5-7H2,1-4H3
InChIKey XRICAHIIYZDYBO-UHFFFAOYSA-N
Mol Weight 242.75 g/mol
Molecular Formula C13H19ClO2
Exact Mass 242.107358 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8vo7PWfnf1r
Name 2-(1-Butyl)-4-chloro-3-methoxy-5,6-dimethylphenol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.107357550 u
Formula C13H19ClO2
InChI InChI=1S/C13H19ClO2/c1-5-6-7-10-12(15)9(3)8(2)11(14)13(10)16-4/h15H,5-7H2,1-4H3
InChIKey XRICAHIIYZDYBO-UHFFFAOYSA-N
Molecular Weight 242.746 g/mol
SMILES C=1(C(=C(C)C(=C(C1OC)Cl)C)O)CCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969948