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2-{2-[2-({5-[4-(N-Methylacetamido)phenylazo]pyridin-2-yl}amino)ethoxy]ethoxy}ethyl 4-methylbenzene sulfonate
SpectraBase Compound ID Dkh2mQFmwHe
InChI InChI=1S/C27H33N5O6S/c1-21-4-11-26(12-5-21)39(34,35)38-19-18-37-17-16-36-15-14-28-27-13-8-24(20-29-27)31-30-23-6-9-25(10-7-23)32(3)22(2)33/h4-13,20H,14-19H2,1-3H3,(H,28,29)
InChIKey SWOCNQOTXOAQFA-UHFFFAOYSA-N
Mol Weight 555.7 g/mol
Molecular Formula C27H33N5O6S
Exact Mass 555.215155 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERLxeqJd1DQ
Name 2-{2-[2-({5-[4-(N-Methylacetamido)phenylazo]pyridin-2-yl}amino)ethoxy]ethoxy}ethyl 4-methylbenzene sulfonate
Appearance Orange oil
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Formula C27H33N5O6S
InChI InChI=1S/C27H33N5O6S/c1-21-4-11-26(12-5-21)39(34,35)38-19-18-37-17-16-36-15-14-28-27-13-8-24(20-29-27)31-30-23-6-9-25(10-7-23)32(3)22(2)33/h4-13,20H,14-19H2,1-3H3,(H,28,29)
InChIKey SWOCNQOTXOAQFA-UHFFFAOYSA-N
Instrument Name Thermo Scientific ITQ900
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p011.676
Molecular Weight 555.650 g/mol
Reported Formula C27H33N5O6S
SMILES N(c1ccc(N=Nc2ccc(N(C)C(C)=O)cc2)cn1)CCOCCOCCOS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-002f-1390000000-68216c69e59ddbcf9907
Source of Spectrum ARK-2021-177-11b
Wiley ID 1873076