| SpectraBase Compound ID | KmN3UmHMSSh |
|---|---|
| InChI | InChI=1S/C12H17NO6S.2Na/c1-6(15)8(11(16)17)10-13-9(12(18)19)7(20-10)4-2-3-5-14;;/h4,6,8,10,14-15H,2-3,5H2,1H3,(H,16,17)(H,18,19);;/q;2*+1/p-2/b7-4-;;/t6-,8-,10-;;/m1../s1 |
| InChIKey | UGZVTVHLDCCTCN-DHIRNNANSA-L |
| Mol Weight | 347.29253856 g/mol |
| Molecular Formula | C12H15NNa2O6S |
| Exact Mass | 347.041547 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9s7SUwgEry8 |
|---|---|
| Name | B-2 |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C12H15NNa2O6S |
| InChI | InChI=1S/C12H17NO6S.2Na/c1-6(15)8(11(16)17)10-13-9(12(18)19)7(20-10)4-2-3-5-14;;/h4,6,8,10,14-15H,2-3,5H2,1H3,(H,16,17)(H,18,19);;/q;2*+1/p-2/b7-4-;;/t6-,8-,10-;;/m1../s1 |
| InChIKey | UGZVTVHLDCCTCN-DHIRNNANSA-L |
| Literature Reference Author | H.IWATA,R.TANAKA,M.ISHIGURO |
| Literature Reference Citation | J.ANTIBIOTICS,43,901(1990) |
| Literature Reference DOI | 10.7164/antibiotics.43.901 |
| Molecular Weight | 347.294 g/mol |
| Sample ID | 65934 |
| Solvent | D2O |