| SpectraBase Compound ID | K1LYvfKeOAi |
|---|---|
| InChI | InChI=1S/C16H10N2O8S2/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14/h1-6,17-18H,(H,21,22,23)(H,24,25,26)/p-2/b14-13- |
| InChIKey | CFZXDJWFRVEWSR-YPKPFQOOSA-L |
| Mol Weight | 420.37 g/mol |
| Molecular Formula | C16H8N2O8S2 |
| Exact Mass | 419.972208 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LlJBn8VHega |
|---|---|
| Name | Indigocarmin dianion |
| CAS Registry Number | 76434-50-9 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C16H8N2O8S2 |
| InChI | InChI=1S/C16H10N2O8S2/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14/h1-6,17-18H,(H,21,22,23)(H,24,25,26)/p-2/b14-13- |
| InChIKey | CFZXDJWFRVEWSR-YPKPFQOOSA-L |
| Instrument Name | Bruker WM-360 |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-D6 |