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2-Tert-butyl-6-methylphenol, N-pentyl ether

View entire compound with spectra: 1 FTIR

2-Tert-butyl-6-methylphenol, N-pentyl ether
SpectraBase Compound ID LwGYyf3Q78C
InChI InChI=1S/C16H26O/c1-6-7-8-12-17-15-13(2)10-9-11-14(15)16(3,4)5/h9-11H,6-8,12H2,1-5H3
InChIKey UWSYNSCIXFVFJX-UHFFFAOYSA-N
Mol Weight 234.38 g/mol
Molecular Formula C16H26O
Exact Mass 234.198365 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6IGdMXRxAyF
Name 2-Tert-butyl-6-methylphenol, N-pentyl ether
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 234.198365456 u
Formula C16H26O
InChI InChI=1S/C16H26O/c1-6-7-8-12-17-15-13(2)10-9-11-14(15)16(3,4)5/h9-11H,6-8,12H2,1-5H3
InChIKey UWSYNSCIXFVFJX-UHFFFAOYSA-N
Molecular Weight 234.383 g/mol
SMILES C1(=CC=CC(=C1OCCCCC)C)C(C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959738