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1-(4-Hydroxyoct-2-ynoxy)oct-2-yn-4-ol

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

1-(4-Hydroxyoct-2-ynoxy)oct-2-yn-4-ol
SpectraBase Compound ID 5boNx0Xx7pN
InChI InChI=1S/C16H26O3/c1-3-5-9-15(17)11-7-13-19-14-8-12-16(18)10-6-4-2/h15-18H,3-6,9-10,13-14H2,1-2H3
InChIKey VHBJGJWWJXEDTI-UHFFFAOYSA-N
Mol Weight 266.38 g/mol
Molecular Formula C16H26O3
Exact Mass 266.188195 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FgKtwJvvTGR
Name 1-(4-Hydroxyoct-2-ynoxy)oct-2-yn-4-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.188194694 u
Formula C16H26O3
InChI InChI=1S/C16H26O3/c1-3-5-9-15(17)11-7-13-19-14-8-12-16(18)10-6-4-2/h15-18H,3-6,9-10,13-14H2,1-2H3
InChIKey VHBJGJWWJXEDTI-UHFFFAOYSA-N
Molecular Weight 266.381 g/mol
SMILES CCCCC(C#CCOCC#CC(CCCC)O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959783