| SpectraBase Compound ID | BmoJ3vKKjcb |
|---|---|
| InChI | InChI=1S/C13H17NO5S/c1-6(2)10(15)14-11-8(12(16)18-4)7(3)9(20-11)13(17)19-5/h6H,1-5H3,(H,14,15) |
| InChIKey | OGDBHXICSMDODK-UHFFFAOYSA-N |
| Mol Weight | 299.34 g/mol |
| Molecular Formula | C13H17NO5S |
| Exact Mass | 299.082744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GHCByCazGvb |
|---|---|
| Name | Dimethyl 5-(isobutyrylamino)-3-methyl-2,4-thiophenedicarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.082743820 u |
| Formula | C13H17NO5S |
| InChI | InChI=1S/C13H17NO5S/c1-6(2)10(15)14-11-8(12(16)18-4)7(3)9(20-11)13(17)19-5/h6H,1-5H3,(H,14,15) |
| InChIKey | OGDBHXICSMDODK-UHFFFAOYSA-N |
| SMILES | N(C1=C(C(C)=C(S1)C(=O)OC)C(=O)OC)C(=O)C(C)C |