| SpectraBase Compound ID | FjKag7IlO8J |
|---|---|
| InChI | InChI=1S/C12H11NO2S/c1-15-12(14)9-7-10(16-11(9)13)8-5-3-2-4-6-8/h2-7H,13H2,1H3 |
| InChIKey | QKYRXLPXSJZIQM-UHFFFAOYSA-N |
| Mol Weight | 233.28 g/mol |
| Molecular Formula | C12H11NO2S |
| Exact Mass | 233.05105 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 963GzIuPBBa |
|---|---|
| Name | Methyl 2-amino-5-phenyl-3-thiophenecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.051049770 u |
| Formula | C12H11NO2S |
| InChI | InChI=1S/C12H11NO2S/c1-15-12(14)9-7-10(16-11(9)13)8-5-3-2-4-6-8/h2-7H,13H2,1H3 |
| InChIKey | QKYRXLPXSJZIQM-UHFFFAOYSA-N |
| Molecular Weight | 233.285 g/mol |
| SMILES | C=1(SC(=CC1C(=O)OC)C1=CC=CC=C1)N |