| SpectraBase Compound ID | 8XbNOxE5Lfp |
|---|---|
| InChI | InChI=1S/C12H19N7O6/c13-8-17-7-5(3-25-10(15)22)16-9(14)19-2-4(1-6(20)21)12(23,24)11(7,19)18-8/h4-5,7,23-24H,1-3H2,(H2,14,16)(H2,15,22)(H,20,21)(H3,13,17,18)/p+1/t4?,5-,7-,11-/m0/s1 |
| InChIKey | SMWWHDAUBMWEJQ-QKVGUZEESA-O |
| Mol Weight | 358.34 g/mol |
| Molecular Formula | C12H20N7O6 |
| Exact Mass | 358.147506 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6QuGKim4yaZ |
|---|---|
| Name | ATX;11-SAXITOXINETHANOIC-ACID;SEA |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C12H20N7O6 |
| InChI | InChI=1S/C12H19N7O6/c13-8-17-7-5(3-25-10(15)22)16-9(14)19-2-4(1-6(20)21)12(23,24)11(7,19)18-8/h4-5,7,23-24H,1-3H2,(H2,14,16)(H2,15,22)(H,20,21)(H3,13,17,18)/p+1/t4?,5-,7-,11-/m0/s1 |
| InChIKey | SMWWHDAUBMWEJQ-QKVGUZEESA-O |
| Literature Reference Author | O.ARAKAWA,S.NISHIO,T.NOGUCHI,Y.SHIDA,Y.ONOUE |
| Literature Reference Citation | TOXICON,33,1577(1995) |
| Literature Reference DOI | 10.1016/0041-0101(95)00106-9 |
| Molecular Weight | 358.334 g/mol |
| Sample ID | 73401 |
| Solvent | D2O |