![dimethyl 5-[(2E)-2-butenoylamino]-3-methyl-2,4-thiophenedicarboxylate](/api/spectrum/Dmea4EuD1sO/structure.png?h=300&w=458 "dimethyl 5-[(2E)-2-butenoylamino]-3-methyl-2,4-thiophenedicarboxylate")
| SpectraBase Compound ID | 5beuRK11LM2 |
|---|---|
| InChI | InChI=1S/C13H15NO5S/c1-5-6-8(15)14-11-9(12(16)18-3)7(2)10(20-11)13(17)19-4/h5-6H,1-4H3,(H,14,15)/b6-5+ |
| InChIKey | HZAOEBWDZKQOBT-AATRIKPKSA-N |
| Mol Weight | 297.32 g/mol |
| Molecular Formula | C13H15NO5S |
| Exact Mass | 297.067094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dmea4EuD1sO |
|---|---|
| Name | Dimethyl 5-[(2E)-2-butenoylamino]-3-methyl-2,4-thiophenedicarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.067093756 u |
| Formula | C13H15NO5S |
| InChI | InChI=1S/C13H15NO5S/c1-5-6-8(15)14-11-9(12(16)18-3)7(2)10(20-11)13(17)19-4/h5-6H,1-4H3,(H,14,15)/b6-5+ |
| InChIKey | HZAOEBWDZKQOBT-AATRIKPKSA-N |
| SMILES | N(C1=C(C(C)=C(S1)C(=O)OC)C(=O)OC)C(\C=C\C)=O |