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3,3'-bis[(4"-Methoxyphenylsulfonyl)octylamino]azobenzene
SpectraBase Compound ID Fk7n31wGMgv
InChI InChI=1S/C42H56N4O6S2/c1-5-7-17-39(53(47,48)41-25-21-37(51-3)22-26-41)19-11-29-43-33-13-9-15-35(31-33)45-46-36-16-10-14-34(32-36)44-30-12-20-40(18-8-6-2)54(49,50)42-27-23-38(52-4)24-28-42/h9-10,13-16,21-28,31-32,39-40,43-44H,5-8,11-12,17-20,29-30H2,1-4H3/b46-45+
InChIKey LZVMKKAUCGJEKN-XVIFHXHVSA-N
Mol Weight 777.1 g/mol
Molecular Formula C42H56N4O6S2
Exact Mass 776.364128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GPEJAXBIGfZ
Name 3,3'-bis[(4"-Methoxyphenylsulfonyl)octylamino]azobenzene
Alternate Name(s) N-{4-[(4-methoxyphenyl)sulfonyl]octyl}-3-{(E)-[3-({4-[(4-methoxyphenyl)sulfonyl]octyl}amino)phenyl]diazenyl}aniline N-{4-[(4-methoxyphenyl)sulfonyl]octyl}-N-(3-{(E)-[3-({4-[(4-methoxyphenyl)sulfonyl]octyl}amino)phenyl]diazenyl}phenyl)amine
CAS Registry Number 140661-73-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H56N4O6S2
InChI InChI=1S/C42H56N4O6S2/c1-5-7-17-39(53(47,48)41-25-21-37(51-3)22-26-41)19-11-29-43-33-13-9-15-35(31-33)45-46-36-16-10-14-34(32-36)44-30-12-20-40(18-8-6-2)54(49,50)42-27-23-38(52-4)24-28-42/h9-10,13-16,21-28,31-32,39-40,43-44H,5-8,11-12,17-20,29-30H2,1-4H3/b46-45+
InChIKey LZVMKKAUCGJEKN-XVIFHXHVSA-N
Molecular Weight 777.052 g/mol
SMILES N(c1cc(\N=N\c2cc(ccc2)NCCCC(S(c2ccc(cc2)OC)(=O)=O)CCCC)ccc1)CCCC(S(c1ccc(cc1)OC)(=O)=O)CCCC
SPLASH splash10-0c00-0900000300-559ab152c938647d7fa9
Source of Spectrum K-125-1683-7
Wiley ID 1416822