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DL-1,1'-(2-(phenylethynyl)-1,3-phenylene)diethanol
SpectraBase Compound ID LGjhgBcc6T0
InChI InChI=1S/C18H18O2/c1-13(19)16-9-6-10-17(14(2)20)18(16)12-11-15-7-4-3-5-8-15/h3-10,13-14,19-20H,1-2H3/t13-,14-/m1/s1
InChIKey QVAAAMXYCCOXCL-ZIAGYGMSSA-N
Mol Weight 266.34 g/mol
Molecular Formula C18H18O2
Exact Mass 266.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8eEShQtgO
Name DL-1,1'-(2-(phenylethynyl)-1,3-phenylene)diethanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.130679818 u
Formula C18H18O2
InChI InChI=1S/C18H18O2/c1-13(19)16-9-6-10-17(14(2)20)18(16)12-11-15-7-4-3-5-8-15/h3-10,13-14,19-20H,1-2H3/t13-,14-/m1/s1
InChIKey QVAAAMXYCCOXCL-ZIAGYGMSSA-N
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405889
Quality 140
Reported Formula C18H18O2
SMILES O[C@@](C=1C=CC=C([C@@](C)(O)[H])C1C#CC1=CC=CC=C1)(C)[H]
SPLASH splash10-053r-0590000000-6003f612a7e8d217f2ea
Source of Spectrum QE-21-SM8-9ca (DOI: 10.1002/chem.201405889)
Wiley ID 1909048