| SpectraBase Compound ID | GNx0BSOhGsu |
|---|---|
| InChI | InChI=1S/C14H18Br2N6O5S/c1-27-7(6-19-13(23)10-5-8(15)11(16)20-10)4-9-12(22-14(17)21-9)18-2-3-28(24,25)26/h4-5,7,20H,2-3,6H2,1H3,(H,19,23)(H,24,25,26)(H3,17,18,21,22)/b9-4- |
| InChIKey | XNPCEEOIAUULKY-WTKPLQERSA-N |
| Mol Weight | 542.2 g/mol |
| Molecular Formula | C14H18Br2N6O5S |
| Exact Mass | 539.942615 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HjD4nViMLTA |
|---|---|
| Name | TAUROACIDIN-C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C14H18Br2N6O5S |
| InChI | InChI=1S/C14H18Br2N6O5S/c1-27-7(6-19-13(23)10-5-8(15)11(16)20-10)4-9-12(22-14(17)21-9)18-2-3-28(24,25)26/h4-5,7,20H,2-3,6H2,1H3,(H,19,23)(H,24,25,26)(H3,17,18,21,22)/b9-4- |
| InChIKey | XNPCEEOIAUULKY-WTKPLQERSA-N |
| Literature Reference Author | T.KUSAMA,N.TANAKA,A.TAKAHASHI-NAKAGUCHI,T.GONOI,J.FROMONT,J. KOBAYASHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,62,499(2014) |
| Literature Reference DOI | 10.1248/cpb.c14-00077 |
| Molecular Weight | 542.202 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT13902 |