| SpectraBase Compound ID | 3jOQ7gdK1ai |
|---|---|
| InChI | InChI=1S/C19H22ClN3O6S/c1-21-19(25)23-30(26,27)17-10-12(4-6-16(17)29-3)8-9-22-18(24)14-11-13(20)5-7-15(14)28-2/h4-7,10-11H,8-9H2,1-3H3,(H,22,24)(H2,21,23,25) |
| InChIKey | YFONVZWQVIAOKI-UHFFFAOYSA-N |
| Mol Weight | 455.91 g/mol |
| Molecular Formula | C19H22ClN3O6S |
| Exact Mass | 455.091784 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 91TTVpMPerf |
|---|---|
| Name | YFONVZWQVIAOKI-UHFFFAOYSA-N |
| Compound Number | 1816 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C19H22ClN3O6S |
| InChI | InChI=1S/C19H22ClN3O6S/c1-21-19(25)23-30(26,27)17-10-12(4-6-16(17)29-3)8-9-22-18(24)14-11-13(20)5-7-15(14)28-2/h4-7,10-11H,8-9H2,1-3H3,(H,22,24)(H2,21,23,25) |
| InChIKey | YFONVZWQVIAOKI-UHFFFAOYSA-N |
| Literature Reference Author | W.ROBIEN |
| Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
| Molecular Weight | 455.913 g/mol |
| Sample ID | 6533 |
| Solvent | DMSO-D6 |