| SpectraBase Compound ID | Clius5cJACg |
|---|---|
| InChI | InChI=1S/C20H30N2O5S/c1-7-14(4)17(19(23)21-18(15(5)8-2)20(24)27-6)22-28(25,26)16-11-9-13(3)10-12-16/h8-12,14-15,17-18,22H,2,7H2,1,3-6H3,(H,21,23)/t14?,15?,17-,18?/m1/s1 |
| InChIKey | SMCKDCCSRXQPEU-SZBXFDNESA-N |
| Mol Weight | 410.53 g/mol |
| Molecular Formula | C20H30N2O5S |
| Exact Mass | 410.187543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CYqwCOcHC0U |
|---|---|
| Name | SMCKDCCSRXQPEU-SZBXFDNESA-N |
| Compound Number | 2F |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H30N2O5S |
| InChI | InChI=1S/C20H30N2O5S/c1-7-14(4)17(19(23)21-18(15(5)8-2)20(24)27-6)22-28(25,26)16-11-9-13(3)10-12-16/h8-12,14-15,17-18,22H,2,7H2,1,3-6H3,(H,21,23)/t14?,15?,17-,18?/m1/s1 |
| InChIKey | SMCKDCCSRXQPEU-SZBXFDNESA-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 | 410.529 g/mol |
| Sample ID | 57894 |
| Solvent | CDCl3 |