| SpectraBase Compound ID | 6HLXpE8NnOP |
|---|---|
| InChI | InChI=1S/C22H26N2O6S2/c1-12-18-24-13(11-31-18)6-4-5-7-14(25)16-17(30-16)20(2)8-9-22(32-20,10-15(26)23-12)21(3,29)19(27)28/h4-7,11-12,16-17,29H,8-10H2,1-3H3,(H,23,26)(H,27,28)/b6-4-,7-5+/t12-,16+,17-,20+,21-,22-/m1/s1 |
| InChIKey | ULBOFWKGFJYXHA-JAFBIVMCSA-N |
| Mol Weight | 478.58 g/mol |
| Molecular Formula | C22H26N2O6S2 |
| Exact Mass | 478.123229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9L5zwr7Usqk |
|---|---|
| Name | ULBOFWKGFJYXHA-JAFBIVMCSA-N |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H26N2O6S2 |
| InChI | InChI=1S/C22H26N2O6S2/c1-12-18-24-13(11-31-18)6-4-5-7-14(25)16-17(30-16)20(2)8-9-22(32-20,10-15(26)23-12)21(3,29)19(27)28/h4-7,11-12,16-17,29H,8-10H2,1-3H3,(H,23,26)(H,27,28)/b6-4-,7-5+/t12-,16+,17-,20+,21-,22-/m1/s1 |
| InChIKey | ULBOFWKGFJYXHA-JAFBIVMCSA-N |
| Literature Reference Author | A.ASAI,M.HARA,S.KAKITA,Y.KANDA,M.YOSHIDA,H.SAITO,Y.SAITOH |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,6802(1996) |
| Literature Reference DOI | 10.1021/ja960892w |
| Molecular Weight | 478.578 g/mol |
| Sample ID | 36064 |
| Solvent | DMSO-D6 |