| SpectraBase Compound ID | 8M26bDPnIE0 |
|---|---|
| InChI | InChI=1S/C12H17NO3S/c1-5-9(14)13-11-10(12(15)16-6-2)7(3)8(4)17-11/h5-6H2,1-4H3,(H,13,14) |
| InChIKey | INSOSFIPBXUQRU-UHFFFAOYSA-N |
| Mol Weight | 255.33 g/mol |
| Molecular Formula | C12H17NO3S |
| Exact Mass | 255.092915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KcyaRnrRiZA |
|---|---|
| Name | Ethyl 4,5-dimethyl-2-propionamido-3-thiophenecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.092914582 u |
| Formula | C12H17NO3S |
| InChI | InChI=1S/C12H17NO3S/c1-5-9(14)13-11-10(12(15)16-6-2)7(3)8(4)17-11/h5-6H2,1-4H3,(H,13,14) |
| InChIKey | INSOSFIPBXUQRU-UHFFFAOYSA-N |
| Molecular Weight | 255.332 g/mol |
| SMILES | C1(=C(C(=O)OCC)C(C)=C(S1)C)NC(CC)=O |