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1,3-Bis(3-nitrophenyl)-4,5,6-tri(dodecyl)benzene
SpectraBase Compound ID BfqNztJG9Cp
InChI InChI=1S/C54H84N2O4/c1-4-7-10-13-16-19-22-25-28-31-40-50-51(41-32-29-26-23-20-17-14-11-8-5-2)53(46-36-34-38-48(43-46)55(57)58)45-54(47-37-35-39-49(44-47)56(59)60)52(50)42-33-30-27-24-21-18-15-12-9-6-3/h34-39,43-45H,4-33,40-42H2,1-3H3
InChIKey ZFGHJGMHGDUNTK-UHFFFAOYSA-N
Mol Weight 825.3 g/mol
Molecular Formula C54H84N2O4
Exact Mass 824.643109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFAEP8jTQ2M
Name 1,3-Bis(3-nitrophenyl)-4,5,6-tri(dodecyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H84N2O4
InChI InChI=1S/C54H84N2O4/c1-4-7-10-13-16-19-22-25-28-31-40-50-51(41-32-29-26-23-20-17-14-11-8-5-2)53(46-36-34-38-48(43-46)55(57)58)45-54(47-37-35-39-49(44-47)56(59)60)52(50)42-33-30-27-24-21-18-15-12-9-6-3/h34-39,43-45H,4-33,40-42H2,1-3H3
InChIKey ZFGHJGMHGDUNTK-UHFFFAOYSA-N
Molecular Weight 825.276 g/mol
SMILES c1(N(=O)=O)cc(-c2c(c(c(CCCCCCCCCCCC)c(c2)-c2cc(N(=O)=O)ccc2)CCCCCCCCCCCC)CCCCCCCCCCCC)ccc1
SPLASH splash10-004i-0001010090-4de94e67257573f0217a
Source of Spectrum U1-2009-2573-24
Synonyms 2,3,4-tridodecyl-1,5-bis(3-nitrophenyl)benzene
Wiley ID 1663042