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4-sec-Butyl-2-(.alpha.-methylbenzyl)phenol

View entire compound with spectra: 1 NMR, and 1 FTIR

4-sec-Butyl-2-(.alpha.-methylbenzyl)phenol
SpectraBase Compound ID EGrU2bhtc6f
InChI InChI=1S/C18H22O/c1-4-13(2)16-10-11-18(19)17(12-16)14(3)15-8-6-5-7-9-15/h5-14,19H,4H2,1-3H3
InChIKey QJNBIFRUSFIANU-UHFFFAOYSA-N
Mol Weight 254.37 g/mol
Molecular Formula C18H22O
Exact Mass 254.167065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JqIGPgcfaRU
Name 4-sec-Butyl-2-(.alpha.-methylbenzyl)phenol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.167065327 u
Formula C18H22O
InChI InChI=1S/C18H22O/c1-4-13(2)16-10-11-18(19)17(12-16)14(3)15-8-6-5-7-9-15/h5-14,19H,4H2,1-3H3
InChIKey QJNBIFRUSFIANU-UHFFFAOYSA-N
Molecular Weight 254.373 g/mol
SMILES CC(C1=CC=CC=C1)C1=CC(=CC=C1O)C(C)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.953148