| SpectraBase Compound ID | GjREWB3Zlbr |
|---|---|
| InChI | InChI=1S/C24H35ClN2O5S/c1-4-8-14-11-16-23(31)27(22(26(16)12-14)15-9-6-5-7-10-15)17(13(2)25)21-19(29)18(28)20(30)24(32-21)33-3/h5-7,9-10,13-14,16-22,24,28-30H,4,8,11-12H2,1-3H3/t13?,14?,16-,17?,18-,19+,20+,21+,22?,24+/m1/s1 |
| InChIKey | DSRUUBPSQICKSQ-DPCRSWISSA-N |
| Mol Weight | 499.1 g/mol |
| Molecular Formula | C24H35ClN2O5S |
| Exact Mass | 498.195521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BdAhYhInrr5 |
|---|---|
| Name | DSRUUBPSQICKSQ-DPCRSWISSA-N |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C24H35ClN2O5S |
| InChI | InChI=1S/C24H35ClN2O5S/c1-4-8-14-11-16-23(31)27(22(26(16)12-14)15-9-6-5-7-10-15)17(13(2)25)21-19(29)18(28)20(30)24(32-21)33-3/h5-7,9-10,13-14,16-22,24,28-30H,4,8,11-12H2,1-3H3/t13?,14?,16-,17?,18-,19+,20+,21+,22?,24+/m1/s1 |
| InChIKey | DSRUUBPSQICKSQ-DPCRSWISSA-N |
| Literature Reference Author | G.P.MOLONEY,D.J.CRAIK,M.N.ISKANDER |
| Literature Reference Citation | MAGN.RES.CHEM.,31,1077(1993) |
| Literature Reference DOI | 10.1002/mrc.1260311209 |
| Molecular Weight | 499.065 g/mol |
| Solvent | D2O |
| Source File Reference | UWPR36 |