| SpectraBase Compound ID | 2pnyEXupZos |
|---|---|
| InChI | InChI=1S/C17H20N4O5S/c1-11-5-7-13(8-6-11)27(24,25)26-12(2)9-21-10-18-15-14(21)16(22)20(4)17(23)19(15)3/h5-8,10,12H,9H2,1-4H3 |
| InChIKey | GQZBZBIUEGVQIJ-UHFFFAOYSA-N |
| Mol Weight | 392.43 g/mol |
| Molecular Formula | C17H20N4O5S |
| Exact Mass | 392.115441 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IdyBpgvfRXe |
|---|---|
| Name | Proxyphillin-tosylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 392.115440929 u |
| Formula | C17H20N4O5S |
| InChI | InChI=1S/C17H20N4O5S/c1-11-5-7-13(8-6-11)27(24,25)26-12(2)9-21-10-18-15-14(21)16(22)20(4)17(23)19(15)3/h5-8,10,12H,9H2,1-4H3 |
| InChIKey | GQZBZBIUEGVQIJ-UHFFFAOYSA-N |
| Molecular Weight | 392.430 g/mol |
| SMILES | C12=C(C(=O)N(C(N2C)=O)C)N(CC(OS(C2=CC=C(C=C2)C)(=O)=O)C)C=N1 |