| SpectraBase Compound ID | CK08vhpYKWd |
|---|---|
| InChI | InChI=1S/2C21H34N2O5S/c2*1-14(2)28-12-7-11-22-19(25)17-18(24)16(10-13-29-3)23(21(17)27)20(26)15-8-5-4-6-9-15/h14-16,24H,4-13H2,1-3H3,(H,22,25);14-16,22,25H,4-13H2,1-3H3/b;19-17+ |
| InChIKey | NTMLNFZUYLFCTB-YFEKSWFOSA-N |
| Mol Weight | 426.6 g/mol |
| Molecular Formula | C21H34N2O5S |
| Exact Mass | 426.218843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jx9RssEiRos |
|---|---|
| Name | AB-TAUTOMER |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H34N2O5S |
| InChI | InChI=1S/2C21H34N2O5S/c2*1-14(2)28-12-7-11-22-19(25)17-18(24)16(10-13-29-3)23(21(17)27)20(26)15-8-5-4-6-9-15/h14-16,24H,4-13H2,1-3H3,(H,22,25);14-16,22,25H,4-13H2,1-3H3/b;19-17+ |
| InChIKey | NTMLNFZUYLFCTB-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 | 426.571 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU77551 |