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(1E,3E,5E)-6,6'-Dichloro-5,5'-bis[6-(p-octyloxyphenyl)-hexa-1,3,5-trienyl]-2,2'-bipyrazine
SpectraBase Compound ID 6kCskEEKiVf
InChI InChI=1S/C48H56Cl2N4O2/c1-3-5-7-9-15-21-35-55-41-31-27-39(28-32-41)23-17-11-13-19-25-43-47(49)53-45(37-51-43)46-38-52-44(48(50)54-46)26-20-14-12-18-24-40-29-33-42(34-30-40)56-36-22-16-10-8-6-4-2/h11-14,17-20,23-34,37-38H,3-10,15-16,21-22,35-36H2,1-2H3/b13-11+,14-12+,23-17+,24-18+,25-19+,26-20+
InChIKey SMMDYHXYEHKBAJ-NBFVIABBSA-N
Mol Weight 791.9 g/mol
Molecular Formula C48H56Cl2N4O2
Exact Mass 790.378032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8Rl6lujnjd
Name (1E,3E,5E)-6,6'-Dichloro-5,5'-bis[6-(p-octyloxyphenyl)-hexa-1,3,5-trienyl]-2,2'-bipyrazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H56Cl2N4O2
InChI InChI=1S/C48H56Cl2N4O2/c1-3-5-7-9-15-21-35-55-41-31-27-39(28-32-41)23-17-11-13-19-25-43-47(49)53-45(37-51-43)46-38-52-44(48(50)54-46)26-20-14-12-18-24-40-29-33-42(34-30-40)56-36-22-16-10-8-6-4-2/h11-14,17-20,23-34,37-38H,3-10,15-16,21-22,35-36H2,1-2H3/b13-11+,14-12+,23-17+,24-18+,25-19+,26-20+
InChIKey SMMDYHXYEHKBAJ-NBFVIABBSA-N
Molecular Weight 791.908 g/mol
SMILES c1(nc(c(nc1)\C=C\C=C\C=C\c1ccc(OCCCCCCCC)cc1)Cl)-c1nc(c(\C=C\C=C\C=C\c2ccc(OCCCCCCCC)cc2)nc1)Cl
SPLASH splash10-0ac0-2910000000-9adbada79101135c88b6
Source of Spectrum F-67-2298-20
Wiley ID 1686046