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2-[2-(4-nitrophenyl)ethynyl]-7-(2-phenylethynyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
SpectraBase Compound ID Jqr72uI9nnD
InChI InChI=1S/C27H17NO2/c29-28(30)27-18-14-22(15-19-27)13-17-24-9-5-10-25-20-26(24)11-4-8-23(25)16-12-21-6-2-1-3-7-21/h1-11,14-15,18-19H,20H2
InChIKey JOILHHDFLLOBLP-UHFFFAOYSA-N
Mol Weight 387.44 g/mol
Molecular Formula C27H17NO2
Exact Mass 387.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J78osWmotoZ
Name 2-[2-(4-nitrophenyl)ethynyl]-7-(2-phenylethynyl)bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H17NO2
InChI InChI=1S/C27H17NO2/c29-28(30)27-18-14-22(15-19-27)13-17-24-9-5-10-25-20-26(24)11-4-8-23(25)16-12-21-6-2-1-3-7-21/h1-11,14-15,18-19H,20H2
InChIKey JOILHHDFLLOBLP-UHFFFAOYSA-N
Molecular Weight 387.438 g/mol
SMILES c1(N(=O)=O)ccc(C#CC2=C3CC(C(C#Cc4ccccc4)=CC=C3)=CC=C2)cc1
SPLASH splash10-000i-0019000000-42202cb48ad3e940ee70
Source of Spectrum H-80-1646-6
Wiley ID 1363496