| SpectraBase Compound ID | 2A7xTsPzRdw |
|---|---|
| InChI | InChI=1S/C13H14N2O3S/c1-18-10-4-2-9(3-5-10)8-11-12(16)15(7-6-14)13(17)19-11/h2-5,8H,6-7,14H2,1H3/p+1/b11-8- |
| InChIKey | YNCIJVJXJBRZMA-FLIBITNWSA-O |
| Mol Weight | 279.33 g/mol |
| Molecular Formula | C13H15N2O3S |
| Exact Mass | 279.080339 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1CKNSgsTKuK |
|---|---|
| Name | 3-(2-Ammonioethyl)-5-(4-methoxybenzylidene)thiazolidine-2,4-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.080338522 u |
| Formula | C13H15N2O3S |
| InChI | InChI=1S/C13H14N2O3S/c1-18-10-4-2-9(3-5-10)8-11-12(16)15(7-6-14)13(17)19-11/h2-5,8H,6-7,14H2,1H3/p+1/b11-8- |
| InChIKey | YNCIJVJXJBRZMA-FLIBITNWSA-O |
| Molecular Weight | 279.334 g/mol |
| SMILES | [NH3+]CCN1C(S\C(C1=O)=C\c1ccc(cc1)OC)=O |