| SpectraBase Compound ID | 4fzT34aeBX0 |
|---|---|
| InChI | InChI=1S/C18H20ClN3O5S2/c1-20-18(28)22-29(25,26)16-9-11(3-6-15(16)27-2)7-8-21-17(24)13-10-12(19)4-5-14(13)23/h3-6,9-10,23H,7-8H2,1-2H3,(H,21,24)(H2,20,22,28) |
| InChIKey | NNDNUTSDRXVOPG-UHFFFAOYSA-N |
| Mol Weight | 457.95 g/mol |
| Molecular Formula | C18H20ClN3O5S2 |
| Exact Mass | 457.053291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4mpbQZrMHva |
|---|---|
| Name | NNDNUTSDRXVOPG-UHFFFAOYSA-N |
| Compound Number | 2164 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H20ClN3O5S2 |
| InChI | InChI=1S/C18H20ClN3O5S2/c1-20-18(28)22-29(25,26)16-9-11(3-6-15(16)27-2)7-8-21-17(24)13-10-12(19)4-5-14(13)23/h3-6,9-10,23H,7-8H2,1-2H3,(H,21,24)(H2,20,22,28) |
| InChIKey | NNDNUTSDRXVOPG-UHFFFAOYSA-N |
| Literature Reference Author | W.ROBIEN |
| Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
| Molecular Weight | 457.947 g/mol |
| Sample ID | 2539 |
| Solvent | DMSO-D6 |