![Dimethyl 5-[(cyclobutylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate](/api/spectrum/Bd5FBFqucOM/structure.png?h=300&w=458 "Dimethyl 5-[(cyclobutylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate")
| SpectraBase Compound ID | gPUXmItG5S |
|---|---|
| InChI | InChI=1S/C14H17NO5S/c1-7-9(13(17)19-2)12(21-10(7)14(18)20-3)15-11(16)8-5-4-6-8/h8H,4-6H2,1-3H3,(H,15,16) |
| InChIKey | HZYYAXKPECKXES-UHFFFAOYSA-N |
| Mol Weight | 311.35 g/mol |
| Molecular Formula | C14H17NO5S |
| Exact Mass | 311.082744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bd5FBFqucOM |
|---|---|
| Name | Dimethyl 5-[(cyclobutylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.082743820 u |
| Formula | C14H17NO5S |
| InChI | InChI=1S/C14H17NO5S/c1-7-9(13(17)19-2)12(21-10(7)14(18)20-3)15-11(16)8-5-4-6-8/h8H,4-6H2,1-3H3,(H,15,16) |
| InChIKey | HZYYAXKPECKXES-UHFFFAOYSA-N |
| SMILES | N(C1=C(C(=C(C(=O)OC)S1)C)C(=O)OC)C(=O)C1CCC1 |