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4-[2-(3,3-Dimethylbutyl)phenoxy]-1-butanol

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

4-[2-(3,3-Dimethylbutyl)phenoxy]-1-butanol
SpectraBase Compound ID AmPPah3uIIT
InChI InChI=1S/C16H26O2/c1-16(2,3)11-10-14-8-4-5-9-15(14)18-13-7-6-12-17/h4-5,8-9,17H,6-7,10-13H2,1-3H3
InChIKey WMEFTWUIROIFDC-UHFFFAOYSA-N
Mol Weight 250.38 g/mol
Molecular Formula C16H26O2
Exact Mass 250.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7gojiNmVxUC
Name 4-[2-(3,3-Dimethylbutyl)phenoxy]-1-butanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 250.193280075 u
Formula C16H26O2
InChI InChI=1S/C16H26O2/c1-16(2,3)11-10-14-8-4-5-9-15(14)18-13-7-6-12-17/h4-5,8-9,17H,6-7,10-13H2,1-3H3
InChIKey WMEFTWUIROIFDC-UHFFFAOYSA-N
Molecular Weight 250.382 g/mol
SMILES C=1(C(OCCCCO)=CC=CC1)CCC(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975085