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5-[alpha-(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)-o-sulfo-benzyl]-3-methylsalicylic acid, trisodium salt
SpectraBase Compound ID H2h2LoZtjiE
InChI InChI=1S/C23H18O9S.3Na/c1-11-7-13(9-16(20(11)24)22(26)27)19(15-5-3-4-6-18(15)33(30,31)32)14-8-12(2)21(25)17(10-14)23(28)29;;;/h3-10,24H,1-2H3,(H,26,27)(H,28,29)(H,30,31,32);;;/q;3*+1/p-3
InChIKey FFUMCSDSJNSMQH-UHFFFAOYSA-K
Mol Weight 536.39330785 g/mol
Molecular Formula C23H15Na3O9S
Exact Mass 536.012986 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HYPG5Jr57Zh
Name C.I. MORDANT BLUE 3
Source of Sample Pfaltz & Bauer, Inc., Waterbury, Connecticut
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H15Na3O9S
InChI InChI=1S/C23H18O9S.3Na/c1-11-7-13(9-16(20(11)24)22(26)27)19(15-5-3-4-6-18(15)33(30,31)32)14-8-12(2)21(25)17(10-14)23(28)29;;;/h3-10,24H,1-2H3,(H,26,27)(H,28,29)(H,30,31,32);;;/q;3*+1/p-3
InChIKey FFUMCSDSJNSMQH-UHFFFAOYSA-K
Molecular Weight 536.40
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms SALICYLIC ACID, 5-/A-/3-CARBOXY- 5-METHYL-4-OXO-2,5-CYCLOHEXADIEN- 1-YLIDENE/-O-SULFOBENZYL/-3-METHYL-, TRISODIUM SALT ERIOCHROME CYANINE R CI MORDANT BLUE 3