| SpectraBase Compound ID | 3zg3JqUHYk2 |
|---|---|
| InChI | InChI=1S/C23H28N2O5S/c1-5-17(3)21(23(27)30-4)24-22(26)20(15-18-9-7-6-8-10-18)25-31(28,29)19-13-11-16(2)12-14-19/h5-14,17,20-21,25H,1,15H2,2-4H3,(H,24,26)/t17?,20-,21?/m1/s1 |
| InChIKey | PFVFMPMSSMZMDD-TWMPVWRBSA-N |
| Mol Weight | 444.55 g/mol |
| Molecular Formula | C23H28N2O5S |
| Exact Mass | 444.171893 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ZzptoIR4f |
|---|---|
| Name | PFVFMPMSSMZMDD-TWMPVWRBSA-N |
| Compound Number | 2G |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H28N2O5S |
| InChI | InChI=1S/C23H28N2O5S/c1-5-17(3)21(23(27)30-4)24-22(26)20(15-18-9-7-6-8-10-18)25-31(28,29)19-13-11-16(2)12-14-19/h5-14,17,20-21,25H,1,15H2,2-4H3,(H,24,26)/t17?,20-,21?/m1/s1 |
| InChIKey | PFVFMPMSSMZMDD-TWMPVWRBSA-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 | 444.546 g/mol |
| Sample ID | 57895 |
| Solvent | CDCl3 |