| SpectraBase Compound ID | 341TtLvSExf |
|---|---|
| InChI | InChI=1S/C13H13NO2S/c1-8-10(9-6-4-3-5-7-9)11(12(14)17-8)13(15)16-2/h3-7H,14H2,1-2H3 |
| InChIKey | AIHYNLWSPTZXGT-UHFFFAOYSA-N |
| Mol Weight | 247.31 g/mol |
| Molecular Formula | C13H13NO2S |
| Exact Mass | 247.0667 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K2JL6jP2SWs |
|---|---|
| Name | Methyl 2-amino-5-methyl-4-phenyl-3-thiophenecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.066699835 u |
| Formula | C13H13NO2S |
| InChI | InChI=1S/C13H13NO2S/c1-8-10(9-6-4-3-5-7-9)11(12(14)17-8)13(15)16-2/h3-7H,14H2,1-2H3 |
| InChIKey | AIHYNLWSPTZXGT-UHFFFAOYSA-N |
| Molecular Weight | 247.312 g/mol |
| SMILES | C=1(SC(=C(C1C(=O)OC)C1=CC=CC=C1)C)N |