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2-[2-(4-methoxyphenyl)ethynyl]-7-[2-(4-nitrophenyl)ethynyl]bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
SpectraBase Compound ID 662omXJqXHD
InChI InChI=1S/C28H19NO3/c1-32-28-18-12-22(13-19-28)9-15-24-5-3-6-25-20-26(24)7-2-4-23(25)14-8-21-10-16-27(17-11-21)29(30)31/h2-7,10-13,16-19H,20H2,1H3
InChIKey QCQKGXGWNPTPQR-UHFFFAOYSA-N
Mol Weight 417.46 g/mol
Molecular Formula C28H19NO3
Exact Mass 417.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Tn6dwF0r6H
Name 2-[2-(4-methoxyphenyl)ethynyl]-7-[2-(4-nitrophenyl)ethynyl]bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H19NO3
InChI InChI=1S/C28H19NO3/c1-32-28-18-12-22(13-19-28)9-15-24-5-3-6-25-20-26(24)7-2-4-23(25)14-8-21-10-16-27(17-11-21)29(30)31/h2-7,10-13,16-19H,20H2,1H3
InChIKey QCQKGXGWNPTPQR-UHFFFAOYSA-N
Molecular Weight 417.464 g/mol
SMILES c1(N(=O)=O)ccc(C#CC=2C=3CC(=C(C#Cc4ccc(cc4)OC)C=CC3)C=CC2)cc1
SPLASH splash10-014i-0000900000-25892af4d29f0e9a8db3
Source of Spectrum H-80-1646-6
Wiley ID 1376919