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(E)-12c-[4-(4-Iodophenyldiazenyl)phenyl]ethynyl-4,8,12-tri-n-propyl-4,8,12-triazatriangulene
SpectraBase Compound ID 7Q9DguFJBNY
InChI InChI=1S/C42H38IN5/c1-4-26-46-33-10-7-12-35-39(33)42(25-24-29-16-20-31(21-17-29)44-45-32-22-18-30(43)19-23-32)40-34(46)11-8-13-36(40)48(28-6-3)38-15-9-14-37(41(38)42)47(35)27-5-2/h7-23H,4-6,26-28H2,1-3H3/b45-44+
InChIKey FJFLOZGYCTXSBW-JQOKOOLQSA-N
Mol Weight 739.7 g/mol
Molecular Formula C42H38IN5
Exact Mass 739.217191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IfTHbyFMjlm
Name (E)-12c-[4-(4-Iodophenyldiazenyl)phenyl]ethynyl-4,8,12-tri-n-propyl-4,8,12-triazatriangulene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H38IN5
InChI InChI=1S/C42H38IN5/c1-4-26-46-33-10-7-12-35-39(33)42(25-24-29-16-20-31(21-17-29)44-45-32-22-18-30(43)19-23-32)40-34(46)11-8-13-36(40)48(28-6-3)38-15-9-14-37(41(38)42)47(35)27-5-2/h7-23H,4-6,26-28H2,1-3H3/b45-44+
InChIKey FJFLOZGYCTXSBW-JQOKOOLQSA-N
Molecular Weight 739.705 g/mol
SMILES C12(c3c4cccc3N(c3c1c(N(CCC)c1c2c(N4CCC)ccc1)ccc3)CCC)C#Cc1ccc(\N=N\c2ccc(cc2)I)cc1
SPLASH splash10-0ue9-0759200000-a68973448da7297f7a14
Source of Spectrum U1-2010-5051-7a
Wiley ID 1664319