| SpectraBase Compound ID | 8dXVhqv4gff |
|---|---|
| InChI | InChI=1S/C20H14N2O5S.Na/c23-17-11-18(28(25,26)27)14-7-3-4-8-15(14)19(17)22-21-16-10-9-12-5-1-2-6-13(12)20(16)24;/h1-11,23-24H,(H,25,26,27);/q;+1/p-1/b22-21+; |
| InChIKey | HOWITLLZNKSJOJ-QUABFQRHSA-M |
| Mol Weight | 416.38276928 g/mol |
| Molecular Formula | C20H13N2NaO5S |
| Exact Mass | 416.044287 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LYT9vN8Nl5g |
|---|---|
| Name | C.I. Mordant Black 3, monosodium salt |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H13N2NaO5S |
| InChI | InChI=1S/C20H14N2O5S.Na/c23-17-11-18(28(25,26)27)14-7-3-4-8-15(14)19(17)22-21-16-10-9-12-5-1-2-6-13(12)20(16)24;/h1-11,23-24H,(H,25,26,27);/q;+1/p-1/b22-21+; |
| InChIKey | HOWITLLZNKSJOJ-QUABFQRHSA-M |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 41563M |
| Solvent | Polysol |