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3-Phenyl-4-(phenylethynyl)dibenzo[c,g]phenanthrene
SpectraBase Compound ID 98sXaTCZQj3
InChI InChI=1S/C36H22/c1-3-11-25(12-4-1)19-22-31-32-23-20-26-13-7-9-17-29(26)35(32)36-30-18-10-8-14-27(30)21-24-33(36)34(31)28-15-5-2-6-16-28/h1-18,20-21,23-24H
InChIKey WXUXGBHSHVEAHY-UHFFFAOYSA-N
Mol Weight 454.6 g/mol
Molecular Formula C36H22
Exact Mass 454.172151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8POmwaQA6wx
Name 3-Phenyl-4-(phenylethynyl)dibenzo[c,g]phenanthrene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H22
InChI InChI=1S/C36H22/c1-3-11-25(12-4-1)19-22-31-32-23-20-26-13-7-9-17-29(26)35(32)36-30-18-10-8-14-27(30)21-24-33(36)34(31)28-15-5-2-6-16-28/h1-18,20-21,23-24H
InChIKey WXUXGBHSHVEAHY-UHFFFAOYSA-N
Molecular Weight 454.572 g/mol
SMILES c1(c2c(c3ccccc3cc2)c2c(c1-c1ccccc1)ccc1ccccc21)C#Cc1ccccc1
SPLASH splash10-0udi-0009100000-d052828c4ba1f3048e0a
Source of Spectrum F-52-8358-23
Wiley ID 797161