| SpectraBase Compound ID | FGgCJ9FYyJT |
|---|---|
| InChI | InChI=1S/C26H28N6O5S/c1-26(2,3)15-9-7-14(8-10-15)22(36)30-25-29-21-18(23(31-25)38-17-6-4-5-11-27-17)28-13-32(21)24-20(35)19(34)16(12-33)37-24/h4-11,13,16,19-20,24,33-35H,12H2,1-3H3,(H,29,30,31,36)/t16-,19-,20-,24-/m0/s1 |
| InChIKey | PKDHQIUQVXSINZ-JLPWOHBFSA-N |
| Mol Weight | 536.61 g/mol |
| Molecular Formula | C26H28N6O5S |
| Exact Mass | 536.184189 g/mol |
15N Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 19Kx5NMCw8l |
|---|---|
| Name | PKDHQIUQVXSINZ-JLPWOHBFSA-N |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H28N6O5S |
| InChI | InChI=1S/C26H28N6O5S/c1-26(2,3)15-9-7-14(8-10-15)22(36)30-25-29-21-18(23(31-25)38-17-6-4-5-11-27-17)28-13-32(21)24-20(35)19(34)16(12-33)37-24/h4-11,13,16,19-20,24,33-35H,12H2,1-3H3,(H,29,30,31,36)/t16-,19-,20-,24-/m0/s1 |
| InChIKey | PKDHQIUQVXSINZ-JLPWOHBFSA-N |
| Literature Reference Author | G.REMAUD,X.X.ZHOU,C.J.WELCH,J.CHATTOPADHYAYA |
| Literature Reference Citation | TETRAHEDRON,42,4057(1986) |
| Literature Reference DOI | 10.1016/S0040-4020(01)87562-1 |
| Solvent | DMSO |
| Source File Reference | UWRH484 |