| SpectraBase Compound ID | JA4gNeWCP0r |
|---|---|
| InChI | InChI=1S/C21H31N3O6S/c1-7-15(5)19(21(27)30-6)23-17(25)12-22-20(26)18(13(2)3)24-31(28,29)16-10-8-14(4)9-11-16/h7-11,13,15,18-19,24H,1,12H2,2-6H3,(H,22,26)(H,23,25)/t15?,18-,19?/m1/s1 |
| InChIKey | DOOWUYQLMUJLBD-ZCDLSOSASA-N |
| Mol Weight | 453.55 g/mol |
| Molecular Formula | C21H31N3O6S |
| Exact Mass | 453.193357 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CnbV0Kr18KQ |
|---|---|
| Name | DOOWUYQLMUJLBD-ZCDLSOSASA-N |
| Compound Number | 6A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H31N3O6S |
| InChI | InChI=1S/C21H31N3O6S/c1-7-15(5)19(21(27)30-6)23-17(25)12-22-20(26)18(13(2)3)24-31(28,29)16-10-8-14(4)9-11-16/h7-11,13,15,18-19,24H,1,12H2,2-6H3,(H,22,26)(H,23,25)/t15?,18-,19?/m1/s1 |
| InChIKey | DOOWUYQLMUJLBD-ZCDLSOSASA-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 | 453.554 g/mol |
| Sample ID | 57905 |
| Solvent | CDCl3:CD3OD |