| SpectraBase Compound ID | Gl30Zrh8xjg |
|---|---|
| InChI | InChI=1S/2C18H23N3O4S/c2*1-11(22)21-14(9-10-26-4)16(23)15(18(21)25)17(24)19-12-5-7-13(8-6-12)20(2)3/h5-8,14,23H,9-10H2,1-4H3,(H,19,24);5-8,14,19,24H,9-10H2,1-4H3/b;17-15+ |
| InChIKey | LZMMDJQFTVQPFA-PCTDWUKPSA-N |
| Mol Weight | 377.46 g/mol |
| Molecular Formula | C18H23N3O4S |
| Exact Mass | 377.140927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fpk4m80maXT |
|---|---|
| Name | AB-TAUTOMER |
| Compound Number | 3E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H23N3O4S |
| InChI | InChI=1S/2C18H23N3O4S/c2*1-11(22)21-14(9-10-26-4)16(23)15(18(21)25)17(24)19-12-5-7-13(8-6-12)20(2)3/h5-8,14,23H,9-10H2,1-4H3,(H,19,24);5-8,14,19,24H,9-10H2,1-4H3/b;17-15+ |
| InChIKey | LZMMDJQFTVQPFA-PCTDWUKPSA-N |
| Literature Reference Author | Y.C.JEONG,M.G.MOLONEY |
| Literature Reference Citation | BEIL.J.ORG.CHEM.,9,1899(2013) |
| Literature Reference DOI | 10.3762/bjoc.9.224 |
| Molecular Weight | 377.458 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWLU77556 |