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5-Methyl-5-(4-methoxyphenyl)-1-hexanol

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

5-Methyl-5-(4-methoxyphenyl)-1-hexanol
SpectraBase Compound ID 7GviIWT7ZDk
InChI InChI=1S/C14H22O2/c1-14(2,10-4-5-11-15)12-6-8-13(16-3)9-7-12/h6-9,15H,4-5,10-11H2,1-3H3
InChIKey FWXSPSDQYROFRS-UHFFFAOYSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LBmkyD8t6Ca
Name 5-Methyl-5-(4-methoxyphenyl)-1-hexanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.161979946 u
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-14(2,10-4-5-11-15)12-6-8-13(16-3)9-7-12/h6-9,15H,4-5,10-11H2,1-3H3
InChIKey FWXSPSDQYROFRS-UHFFFAOYSA-N
Molecular Weight 222.328 g/mol
SMILES C(C=1C=CC(=CC1)OC)(CCCCO)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947656