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C.I. Acid Red 18, trisodium salt

View entire compound with spectra: 2 NMR, 5 FTIR, and 1 Raman

C.I. Acid Red 18, trisodium salt
SpectraBase Compound ID 1JP5vRgoVMQ
InChI InChI=1S/C20H14N2O10S3.3Na/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3/b22-21+;;;
InChIKey SWGJCIMEBVHMTA-ZRUFZDNISA-K
Mol Weight 604.46130785 g/mol
Molecular Formula C20H11N2Na3O10S3
Exact Mass 603.926891 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2dNHipleFFc
Name 7-HYDROXY-8-(4-SULFONAPHTHYLAZO)-1,3-NAPHTHALENEDISULFONIC-ACID-TRISODIUM-SALT
Compound Number R-102
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H11N2Na3O10S3
InChI InChI=1S/C20H14N2O10S3.3Na/c23-16-7-5-11-9-12(33(24,25)26)10-18(35(30,31)32)19(11)20(16)22-21-15-6-8-17(34(27,28)29)14-4-2-1-3-13(14)15;;;/h1-10,23H,(H,24,25,26)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3/b22-21+;;;
InChIKey SWGJCIMEBVHMTA-ZRUFZDNISA-K
Literature Reference Author M.YAMADA,Y.KATO,M.NAKAMURA,T.YAMADA,T.MAITANI,Y.GODA
Literature Reference Citation CHEM.PHARM.BULL.,46,494(1998)
Literature Reference DOI 10.1248/cpb.46.494
Molecular Weight 604.464 g/mol
Solvent CD3OD
Source File Reference UWMS6276