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2-{2-[2-({5-[4-[N,4-(dimethylphenylsulfonamido)phenylazo]pyridin-2-yl}amino)ethoxy]ethoxy}ethyl 4-methylbenzenesulfonate
SpectraBase Compound ID B639XQJ6u2B
InChI InChI=1S/C32H37N5O7S2/c1-25-4-13-30(14-5-25)45(38,39)37(3)29-11-8-27(9-12-29)35-36-28-10-17-32(34-24-28)33-18-19-42-20-21-43-22-23-44-46(40,41)31-15-6-26(2)7-16-31/h4-17,24H,18-23H2,1-3H3,(H,33,34)
InChIKey KGKQTIOINRMDBG-UHFFFAOYSA-N
Mol Weight 667.8 g/mol
Molecular Formula C32H37N5O7S2
Exact Mass 667.213441 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4BK645rBS5U
Name 2-{2-[2-({5-[4-[N,4-(dimethylphenylsulfonamido)phenylazo]pyridin-2-yl}amino)ethoxy]ethoxy}ethyl 4-methylbenzenesulfonate
Appearance Orange oil
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Formula C32H37N5O7S2
InChI InChI=1S/C32H37N5O7S2/c1-25-4-13-30(14-5-25)45(38,39)37(3)29-11-8-27(9-12-29)35-36-28-10-17-32(34-24-28)33-18-19-42-20-21-43-22-23-44-46(40,41)31-15-6-26(2)7-16-31/h4-17,24H,18-23H2,1-3H3,(H,33,34)
InChIKey KGKQTIOINRMDBG-UHFFFAOYSA-N
Instrument Name Thermo Scientific ITQ900
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p011.676
Molecular Weight 667.796 g/mol
Reported Formula C32H37N5O7S2
SMILES N(c1ccc(N=Nc2ccc(N(C)S(c3ccc(cc3)C)(=O)=O)cc2)cn1)CCOCCOCCOS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0aos-9310000000-1ce8fc43daae49037996
Source of Spectrum ARK-2021-180-18
Wiley ID 1873085