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2-{2-[2-({5-[4-(Methylamino)phenylazo]pyiridin-2-yl}-amino)ethoxy]ethoxy}ethyl 4-methylbenzene sulfonate
SpectraBase Compound ID BkxgBkA5bFf
InChI InChI=1S/C25H31N5O5S/c1-20-3-10-24(11-4-20)36(31,32)35-18-17-34-16-15-33-14-13-27-25-12-9-23(19-28-25)30-29-22-7-5-21(26-2)6-8-22/h3-12,19,26H,13-18H2,1-2H3,(H,27,28)
InChIKey OBOIJPOXEXDHKE-UHFFFAOYSA-N
Mol Weight 513.61 g/mol
Molecular Formula C25H31N5O5S
Exact Mass 513.20459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7iup4VbvSx9
Name 2-{2-[2-({5-[4-(Methylamino)phenylazo]pyiridin-2-yl}-amino)ethoxy]ethoxy}ethyl 4-methylbenzene sulfonate
Appearance Orange oil
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Formula C25H31N5O5S
InChI InChI=1S/C25H31N5O5S/c1-20-3-10-24(11-4-20)36(31,32)35-18-17-34-16-15-33-14-13-27-25-12-9-23(19-28-25)30-29-22-7-5-21(26-2)6-8-22/h3-12,19,26H,13-18H2,1-2H3,(H,27,28)
InChIKey OBOIJPOXEXDHKE-UHFFFAOYSA-N
Instrument Name Thermo Scientific ITQ900
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p011.676
Molecular Weight 513.613 g/mol
Reported Formula C25H31N5O5S
SMILES N(C)c1ccc(N=Nc2ccc(nc2)NCCOCCOCCOS(c2ccc(cc2)C)(=O)=O)cc1
SPLASH splash10-0a6u-5795000000-e9481edb27751df09c1f
Source of Spectrum ARK-2021-179-16b
Wiley ID 1873084