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2-[2-({5-[4-(N-Methylacetamido)phenylazo]pyridin-2-yl}amino)ethoxy]ethyl 4-methylbenzenesulfonate
SpectraBase Compound ID 2MCmMs1KGuj
InChI InChI=1S/C25H29N5O5S/c1-19-4-11-24(12-5-19)36(32,33)35-17-16-34-15-14-26-25-13-8-22(18-27-25)29-28-21-6-9-23(10-7-21)30(3)20(2)31/h4-13,18H,14-17H2,1-3H3,(H,26,27)
InChIKey OAFADNHIIHAFOC-UHFFFAOYSA-N
Mol Weight 511.6 g/mol
Molecular Formula C25H29N5O5S
Exact Mass 511.18894 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1MJ0AwCZr5F
Name 2-[2-({5-[4-(N-Methylacetamido)phenylazo]pyridin-2-yl}amino)ethoxy]ethyl 4-methylbenzenesulfonate
Appearance Orange oil
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Formula C25H29N5O5S
InChI InChI=1S/C25H29N5O5S/c1-19-4-11-24(12-5-19)36(32,33)35-17-16-34-15-14-26-25-13-8-22(18-27-25)29-28-21-6-9-23(10-7-21)30(3)20(2)31/h4-13,18H,14-17H2,1-3H3,(H,26,27)
InChIKey OAFADNHIIHAFOC-UHFFFAOYSA-N
Instrument Name Thermo Scientific ITQ900
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p011.676
Molecular Weight 511.597 g/mol
Reported Formula C25H29N5O5S
SMILES N(c1ccc(N=Nc2ccc(N(C)C(C)=O)cc2)cn1)CCOCCOS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-000i-0019000000-2c99b2e4f6241ea03dd2
Source of Spectrum ARK-2021-177-11a
Wiley ID 1873075