| SpectraBase Compound ID | LBnzaXr8mkr |
|---|---|
| InChI | InChI=1S/C12H15N3O2S/c1-2-17-12(16)10-9(14)8(7-13)11(18-10)15-5-3-4-6-15/h2-6,14H2,1H3 |
| InChIKey | QVOXIWCSFAOPHZ-UHFFFAOYSA-N |
| Mol Weight | 265.33 g/mol |
| Molecular Formula | C12H15N3O2S |
| Exact Mass | 265.088498 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KaKPpKWQs1N |
|---|---|
| Name | Ethyl 3-amino-4-cyano-5-(1-pyrrolidinyl)-2-thiophenecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 265.088497907 u |
| Formula | C12H15N3O2S |
| InChI | InChI=1S/C12H15N3O2S/c1-2-17-12(16)10-9(14)8(7-13)11(18-10)15-5-3-4-6-15/h2-6,14H2,1H3 |
| InChIKey | QVOXIWCSFAOPHZ-UHFFFAOYSA-N |
| Molecular Weight | 265.331 g/mol |
| SMILES | C1(=C(SC(=C1N)C(=O)OCC)N1CCCC1)C#N |