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1-(4-Tert-butyl)benzyl-2,2,6,6-tetramethyl-1-cyclohexanol

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

1-(4-Tert-butyl)benzyl-2,2,6,6-tetramethyl-1-cyclohexanol
SpectraBase Compound ID 5ZwgjOlc4AF
InChI InChI=1S/C21H34O/c1-18(2,3)17-11-9-16(10-12-17)15-21(22)19(4,5)13-8-14-20(21,6)7/h9-12,22H,8,13-15H2,1-7H3
InChIKey BLYGMZLGBXLUJP-UHFFFAOYSA-N
Mol Weight 302.5 g/mol
Molecular Formula C21H34O
Exact Mass 302.260966 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KalFNWZZ7Ue
Name 1-(4-Tert-butyl)benzyl-2,2,6,6-tetramethyl-1-cyclohexanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.260965714 u
Formula C21H34O
InChI InChI=1S/C21H34O/c1-18(2,3)17-11-9-16(10-12-17)15-21(22)19(4,5)13-8-14-20(21,6)7/h9-12,22H,8,13-15H2,1-7H3
InChIKey BLYGMZLGBXLUJP-UHFFFAOYSA-N
SMILES C1(C(CCCC1(C)C)(C)C)(CC1=CC=C(C(C)(C)C)C=C1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.950366