| SpectraBase Compound ID | 5dTNuaVWRDU |
|---|---|
| InChI | InChI=1S/C11H14BrN3O5S/c12-8-5-7(1-2-10(8)16)6-9(15-18)11(17)14-3-4-21(13,19)20/h1-2,5,16,18H,3-4,6H2,(H,14,17)(H2,13,19,20)/b15-9+ |
| InChIKey | LZIKVOPNIDEBQJ-OQLLNIDSSA-N |
| Mol Weight | 380.21 g/mol |
| Molecular Formula | C11H14BrN3O5S |
| Exact Mass | 378.983755 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8rOHKSxsWVK |
|---|---|
| Name | Psammaplin 4 |
| Comments | 75 MHz spectrum |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C11H14BrN3O5S |
| InChI | InChI=1S/C11H14BrN3O5S/c12-8-5-7(1-2-10(8)16)6-9(15-18)11(17)14-3-4-21(13,19)20/h1-2,5,16,18H,3-4,6H2,(H,14,17)(H2,13,19,20)/b15-9+ |
| InChIKey | LZIKVOPNIDEBQJ-OQLLNIDSSA-N |
| Instrument Name | see comment |
| Literature Reference | C. Jimenez, P. Crews, Tetrahedron 47, 2097 (1991). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CD3CN |