| SpectraBase Compound ID | 6VBBosu3sCO |
|---|---|
| InChI | InChI=1S/2C21H32N2O4S/c2*1-28-13-12-16-18(24)17(19(25)22-15-10-6-3-7-11-15)21(27)23(16)20(26)14-8-4-2-5-9-14/h14-16,24H,2-13H2,1H3,(H,22,25);14-16,22,25H,2-13H2,1H3/b;19-17+ |
| InChIKey | SHPFBXUGDQAYGL-YFEKSWFOSA-N |
| Mol Weight | 408.6 g/mol |
| Molecular Formula | C21H32N2O4S |
| Exact Mass | 408.208279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K3myID2aEMI |
|---|---|
| Name | AB-TAUTOMER |
| Compound Number | 3B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H32N2O4S |
| InChI | InChI=1S/2C21H32N2O4S/c2*1-28-13-12-16-18(24)17(19(25)22-15-10-6-3-7-11-15)21(27)23(16)20(26)14-8-4-2-5-9-14/h14-16,24H,2-13H2,1H3,(H,22,25);14-16,22,25H,2-13H2,1H3/b;19-17+ |
| InChIKey | SHPFBXUGDQAYGL-YFEKSWFOSA-N |
| Literature Reference Author | Y.C.JEONG,M.G.MOLONEY |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,9,1899(2013) |
| Literature Reference DOI | 10.3762/bjoc.9.224 |
| Molecular Weight | 408.556 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU77552 |