| SpectraBase Compound ID | 9mvB1V6EG6i |
|---|---|
| InChI | InChI=1S/C11H17NO2S/c1-4-14-11(13)9-8(5-7(2)3)6-15-10(9)12/h6-7H,4-5,12H2,1-3H3 |
| InChIKey | WKTSGSNDSJZXHT-UHFFFAOYSA-N |
| Mol Weight | 227.32 g/mol |
| Molecular Formula | C11H17NO2S |
| Exact Mass | 227.098 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GwY4ySvAW9m |
|---|---|
| Name | 2-Amino-4-(2-methylpropyl)-3-thiophenecarboxylic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.097999963 u |
| Formula | C11H17NO2S |
| InChI | InChI=1S/C11H17NO2S/c1-4-14-11(13)9-8(5-7(2)3)6-15-10(9)12/h6-7H,4-5,12H2,1-3H3 |
| InChIKey | WKTSGSNDSJZXHT-UHFFFAOYSA-N |
| Molecular Weight | 227.322 g/mol |
| SMILES | C=1(C(=CSC1N)CC(C)C)C(=O)OCC |