![Dimethyl 5-[(ethoxycarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate](/api/spectrum/Iq0oWsRxLfK/structure.png?h=300&w=458 "Dimethyl 5-[(ethoxycarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate")
| SpectraBase Compound ID | BSs8TD13tXd |
|---|---|
| InChI | InChI=1S/C12H15NO6S/c1-5-19-12(16)13-9-7(10(14)17-3)6(2)8(20-9)11(15)18-4/h5H2,1-4H3,(H,13,16) |
| InChIKey | PXHSTTWLGRALNN-UHFFFAOYSA-N |
| Mol Weight | 301.31 g/mol |
| Molecular Formula | C12H15NO6S |
| Exact Mass | 301.062008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Iq0oWsRxLfK |
|---|---|
| Name | Dimethyl 5-[(ethoxycarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.062008375 u |
| Formula | C12H15NO6S |
| InChI | InChI=1S/C12H15NO6S/c1-5-19-12(16)13-9-7(10(14)17-3)6(2)8(20-9)11(15)18-4/h5H2,1-4H3,(H,13,16) |
| InChIKey | PXHSTTWLGRALNN-UHFFFAOYSA-N |
| SMILES | N(C1=C(C(C)=C(S1)C(=O)OC)C(=O)OC)C(=O)OCC |