| SpectraBase Compound ID | 5At6ZjUm9b6 |
|---|---|
| InChI | InChI=1S/C21H26N4O7S/c1-3-10-29-21(27)23-17-16(24-25-22)18-14(31-20(17)33-11-9-15(26)28-2)12-30-19(32-18)13-7-5-4-6-8-13/h3-8,14,16-20H,1,9-12H2,2H3,(H,23,27)/t14-,16-,17-,18-,19?,20+/m1/s1 |
| InChIKey | SKFBWEFPRUYISS-VOUPVSOTSA-N |
| Mol Weight | 478.52 g/mol |
| Molecular Formula | C21H26N4O7S |
| Exact Mass | 478.15222 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gs1n77PWtZ1 |
|---|---|
| Name | SKFBWEFPRUYISS-VOUPVSOTSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H26N4O7S |
| InChI | InChI=1S/C21H26N4O7S/c1-3-10-29-21(27)23-17-16(24-25-22)18-14(31-20(17)33-11-9-15(26)28-2)12-30-19(32-18)13-7-5-4-6-8-13/h3-8,14,16-20H,1,9-12H2,2H3,(H,23,27)/t14-,16-,17-,18-,19?,20+/m1/s1 |
| InChIKey | SKFBWEFPRUYISS-VOUPVSOTSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 478.520 g/mol |
| Source File Reference | MHKO20354 |