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7-(2-Allyloxyphenyl)-trideca-5,8-diyn-7-ol

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

7-(2-Allyloxyphenyl)-trideca-5,8-diyn-7-ol
SpectraBase Compound ID 2lWf3lcUoX0
InChI InChI=1S/C22H28O2/c1-4-7-9-13-17-22(23,18-14-10-8-5-2)20-15-11-12-16-21(20)24-19-6-3/h6,11-12,15-16,23H,3-5,7-10,19H2,1-2H3
InChIKey UCVHMUPAKYOMSR-UHFFFAOYSA-N
Mol Weight 324.46 g/mol
Molecular Formula C22H28O2
Exact Mass 324.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5ZUxvER4heu
Name 7-(2-Allyloxyphenyl)-trideca-5,8-diyn-7-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 324.208930140 u
Formula C22H28O2
InChI InChI=1S/C22H28O2/c1-4-7-9-13-17-22(23,18-14-10-8-5-2)20-15-11-12-16-21(20)24-19-6-3/h6,11-12,15-16,23H,3-5,7-10,19H2,1-2H3
InChIKey UCVHMUPAKYOMSR-UHFFFAOYSA-N
Molecular Weight 324.464 g/mol
SMILES CCCCC#CC(C#CCCCC)(O)C=1C(=CC=CC1)OCC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.966811