![5-[alpha-(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)-o-sulfo-benzyl]-3-methylsalicylic acid, trisodium salt](/api/spectrum/BoaEVQfHp0M/structure.png?h=300&w=458 "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 |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BoaEVQfHp0M |
|---|---|
| Name | 5-[alpha-(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)-o-sulfo-benzyl]-3-methylsalicylic acid, trisodium salt |
| Copyright | Copyright © 2009-2024 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 |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 25554M |
| Solvent | Polysol-d |