| SpectraBase Compound ID | 2RRzTrasqlm |
|---|---|
| InChI | InChI=1S/C21H31N3O6S/c1-5-6-13-30-19(26)14-23-18(25)11-12-22-21(27)20(15(2)3)24-31(28,29)17-9-7-16(4)8-10-17/h5-10,15,20,24H,11-14H2,1-4H3,(H,22,27)(H,23,25)/b6-5+/t20-/m1/s1 |
| InChIKey | BITNKYARGKCVLH-RRFGBZISSA-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 | 3hBKDTxd1yc |
|---|---|
| Name | BITNKYARGKCVLH-RRFGBZISSA-N |
| Compound Number | 5B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H31N3O6S |
| InChI | InChI=1S/C21H31N3O6S/c1-5-6-13-30-19(26)14-23-18(25)11-12-22-21(27)20(15(2)3)24-31(28,29)17-9-7-16(4)8-10-17/h5-10,15,20,24H,11-14H2,1-4H3,(H,22,27)(H,23,25)/b6-5+/t20-/m1/s1 |
| InChIKey | BITNKYARGKCVLH-RRFGBZISSA-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 | 57902 |
| Solvent | CDCl3 |