| SpectraBase Compound ID | C15T9mEyp7k |
|---|---|
| InChI | InChI=1S/C9H11NO4S/c1-4-5(8(11)13-2)7(10)15-6(4)9(12)14-3/h10H2,1-3H3 |
| InChIKey | JNLHLSOENLVUIJ-UHFFFAOYSA-N |
| Mol Weight | 229.25 g/mol |
| Molecular Formula | C9H11NO4S |
| Exact Mass | 229.040879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1UCXPPPrr5l |
|---|---|
| Name | Thiophene-2,4-dicarboxylic acid, 5-amino-3-methyl-, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.040879008 u |
| Formula | C9H11NO4S |
| InChI | InChI=1S/C9H11NO4S/c1-4-5(8(11)13-2)7(10)15-6(4)9(12)14-3/h10H2,1-3H3 |
| InChIKey | JNLHLSOENLVUIJ-UHFFFAOYSA-N |
| Molecular Weight | 229.250 g/mol |
| SMILES | C1(=C(SC(=C1C)C(=O)OC)N)C(=O)OC |