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1,1,4,4,4-Pentaphenyl-2-butyn-1-ol
SpectraBase Compound ID FbjkW9It57J
InChI InChI=1S/C34H26O/c35-34(31-22-12-4-13-23-31,32-24-14-5-15-25-32)27-26-33(28-16-6-1-7-17-28,29-18-8-2-9-19-29)30-20-10-3-11-21-30/h1-25,35H
InChIKey MXQXAOCKMCRNFO-UHFFFAOYSA-N
Mol Weight 450.6 g/mol
Molecular Formula C34H26O
Exact Mass 450.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLEvUaYBcLB
Name 1,1,4,4,4-Pentaphenyl-2-butyn-1-ol
Alternate Name(s) 1,1,4,4,4-pentaphenylbut-2-yn-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H26O
InChI InChI=1S/C34H26O/c35-34(31-22-12-4-13-23-31,32-24-14-5-15-25-32)27-26-33(28-16-6-1-7-17-28,29-18-8-2-9-19-29)30-20-10-3-11-21-30/h1-25,35H
InChIKey MXQXAOCKMCRNFO-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol402387w
Molecular Weight 450.581 g/mol
SMILES OC(c1ccccc1)(C#CC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
SPLASH splash10-0aor-0950100000-7baf0248bb88f590320f
Source of Spectrum A1-15-5222/SMS6-3
Wiley ID 1751012