| SpectraBase Compound ID | 8QHpPxL9vv3 |
|---|---|
| InChI | InChI=1S/C17H19N5O6S/c1-9-2-4-10(5-3-9)29(25,26)28-14-13(24)11(6-23)27-17(14)22-8-21-12-15(18)19-7-20-16(12)22/h2-5,7-8,11,13-14,17,23-24H,6H2,1H3,(H2,18,19,20)/t11-,13-,14-,17-/m0/s1 |
| InChIKey | WFCZRERILRQGRG-MJFSBKNWSA-N |
| Mol Weight | 421.43 g/mol |
| Molecular Formula | C17H19N5O6S |
| Exact Mass | 421.105605 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E07tkA9LIB2 |
|---|---|
| Name | WFCZRERILRQGRG-MJFSBKNWSA-N |
| Compound Number | 19E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H19N5O6S |
| InChI | InChI=1S/C17H19N5O6S/c1-9-2-4-10(5-3-9)29(25,26)28-14-13(24)11(6-23)27-17(14)22-8-21-12-15(18)19-7-20-16(12)22/h2-5,7-8,11,13-14,17,23-24H,6H2,1H3,(H2,18,19,20)/t11-,13-,14-,17-/m0/s1 |
| InChIKey | WFCZRERILRQGRG-MJFSBKNWSA-N |
| Literature Reference Author | M.J.ROBINS,S.F.WNUK,A.E.HERNANDEZ-THIRRING,M.C.SAMANO |
| Literature Reference Citation | J.AM.CHEM.SOC.,118,11341(1996) |
| Literature Reference DOI | 10.1021/ja962117m |
| Molecular Weight | 421.428 g/mol |
| Sample ID | 54446 |
| Solvent | DMSO-D6 |