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2-(m-Aminophenylsulfonyl)ethanol sulfate ester->N-acetyl-gamma-acid
SpectraBase Compound ID FiHIEF1aNEn
InChI InChI=1S/C20H19N3O11S3.2Na/c1-12(24)21-14-6-5-13-9-18(36(28,29)30)19(20(25)17(13)11-14)23-22-15-3-2-4-16(10-15)35(26,27)8-7-34-37(31,32)33;;/h2-6,9-11,25H,7-8H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b23-22+;;
InChIKey CLTZJLLPARNKJU-VPMNAVQSSA-L
Mol Weight 617.52553856 g/mol
Molecular Formula C20H17N3Na2O11S3
Exact Mass 616.98206 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 3oDAzzoSBBf
Name 2-(m-Aminophenylsulfonyl)ethanol sulfate ester->N-acetyl-gamma-acid
CAS Registry Number 12225-83-1
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Formula C20H17N3Na2O11S3
InChI InChI=1S/C20H19N3O11S3.2Na/c1-12(24)21-14-6-5-13-9-18(36(28,29)30)19(20(25)17(13)11-14)23-22-15-3-2-4-16(10-15)35(26,27)8-7-34-37(31,32)33;;/h2-6,9-11,25H,7-8H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b23-22+;;
InChIKey CLTZJLLPARNKJU-VPMNAVQSSA-L
Instrument Name Bruker IFS 85
Synonyms 2-Naphthalenesulfonic acid, 6-(acetylamino)-4-hydroxy-3-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, disodium salt
Technique KBr-Pellet