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2-[2-(Hex-1-ynyl)phenyl]-2-methoxypropan-1-ol

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

2-[2-(Hex-1-ynyl)phenyl]-2-methoxypropan-1-ol
SpectraBase Compound ID IlH8DnFD7jc
InChI InChI=1S/C16H22O2/c1-4-5-6-7-10-14-11-8-9-12-15(14)16(2,13-17)18-3/h8-9,11-12,17H,4-6,13H2,1-3H3
InChIKey KYAVNQPSIHLHKM-UHFFFAOYSA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2RDYDO5vDPG
Name 2-[2-(hex-1-Ynyl)phenyl]-2-methoxypropan-1-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.161979946 u
Formula C16H22O2
InChI InChI=1S/C16H22O2/c1-4-5-6-7-10-14-11-8-9-12-15(14)16(2,13-17)18-3/h8-9,11-12,17H,4-6,13H2,1-3H3
InChIKey KYAVNQPSIHLHKM-UHFFFAOYSA-N
Molecular Weight 246.350 g/mol
SMILES C(C(C)(OC)C=1C(=CC=CC1)C#CCCCC)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.905961