| SpectraBase Compound ID | BpmJbabGCBE |
|---|---|
| InChI | InChI=1S/C13H10NO4PS/c15-13-11-6-1-2-7-12(11)20-14(13)9-4-3-5-10(8-9)19(16,17)18/h1-8H,(H2,16,17,18)/p-2 |
| InChIKey | CRRGIRQZUHMVRS-UHFFFAOYSA-L |
| Mol Weight | 305.24 g/mol |
| Molecular Formula | C13H8NO4PS |
| Exact Mass | 304.991166 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2l5ZZFVi0R4 |
|---|---|
| Name | 2-(3-Phosphonato-phenyl)-benzisothiazol-3-one dianion |
| Comments | DISODIUM SALT |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H8NO4PS |
| InChI | InChI=1S/C13H10NO4PS/c15-13-11-6-1-2-7-12(11)20-14(13)9-4-3-5-10(8-9)19(16,17)18/h1-8H,(H2,16,17,18)/p-2 |
| InChIKey | CRRGIRQZUHMVRS-UHFFFAOYSA-L |
| Instrument Name | Bruker WM-250 |
| NMR Standard | DMSO |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | D2O |