| SpectraBase Compound ID | 9WSWSeRATmj |
|---|---|
| InChI | InChI=1S/C22H33N3O6S/c1-7-16(5)20(22(28)31-6)24-18(26)12-13-23-21(27)19(14(2)3)25-32(29,30)17-10-8-15(4)9-11-17/h7-11,14,16,19-20,25H,1,12-13H2,2-6H3,(H,23,27)(H,24,26)/t16?,19-,20?/m1/s1 |
| InChIKey | JJMPPDABBGSEII-NQKNOSNGSA-N |
| Mol Weight | 467.6 g/mol |
| Molecular Formula | C22H33N3O6S |
| Exact Mass | 467.209007 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G0qVATSkeMo |
|---|---|
| Name | JJMPPDABBGSEII-NQKNOSNGSA-N |
| Compound Number | 6B |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H33N3O6S |
| InChI | InChI=1S/C22H33N3O6S/c1-7-16(5)20(22(28)31-6)24-18(26)12-13-23-21(27)19(14(2)3)25-32(29,30)17-10-8-15(4)9-11-17/h7-11,14,16,19-20,25H,1,12-13H2,2-6H3,(H,23,27)(H,24,26)/t16?,19-,20?/m1/s1 |
| InChIKey | JJMPPDABBGSEII-NQKNOSNGSA-N |
| Literature Reference Author | U.KAZMAIER,S.MAIER |
| Literature Reference Citation | J.ORG.CHEM.,64,4574(1999) |
| Literature Reference DOI | 10.1021/jo9904821 |
| Molecular Weight | 467.581 g/mol |
| Sample ID | 57906 |
| Solvent | CD3OD |