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18,18'-(1,4-phenylene)bis(octadec-17-yn-1-ol)
SpectraBase Compound ID D7NoUDa2o3v
InChI InChI=1S/C42H70O2/c43-39-31-27-23-19-15-11-7-3-1-5-9-13-17-21-25-29-33-41-35-37-42(38-36-41)34-30-26-22-18-14-10-6-2-4-8-12-16-20-24-28-32-40-44/h35-38,43-44H,1-28,31-32,39-40H2
InChIKey UJEBOGSXEJXJNS-UHFFFAOYSA-N
Mol Weight 607.0 g/mol
Molecular Formula C42H70O2
Exact Mass 606.537581 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H6UnixcWthQ
Name 18,18'-(1,4-phenylene)bis(octadec-17-yn-1-ol)
Appearance White crystalline powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H70O2
InChI InChI=1S/C42H70O2/c43-39-31-27-23-19-15-11-7-3-1-5-9-13-17-21-25-29-33-41-35-37-42(38-36-41)34-30-26-22-18-14-10-6-2-4-8-12-16-20-24-28-32-40-44/h35-38,43-44H,1-28,31-32,39-40H2
InChIKey UJEBOGSXEJXJNS-UHFFFAOYSA-N
Instrument Name AMD 402
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.13.99
Molecular Weight 607.020 g/mol
SMILES OCCCCCCCCCCCCCCCCC#Cc1ccc(C#CCCCCCCCCCCCCCCCCO)cc1
SPLASH splash10-0a7j-0905001000-5aab3b86c62b96df4df5
Source of Spectrum BJO-13-SM3-SM-3
Thin-Layer Chromatography Rf = 0.33 (CHCl3/diethyl ether, 1:1)
Wiley ID 1848347