| SpectraBase Compound ID | BnNme04o6Bf |
|---|---|
| InChI | InChI=1S/C13H12ClNO2S/c1-7-10(8-3-5-9(14)6-4-8)11(12(15)18-7)13(16)17-2/h3-6H,15H2,1-2H3 |
| InChIKey | YDTXFIUCMWUHLI-UHFFFAOYSA-N |
| Mol Weight | 281.76 g/mol |
| Molecular Formula | C13H12ClNO2S |
| Exact Mass | 281.027728 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JPZKXEebJkt |
|---|---|
| Name | Methyl 2-amino-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.027727502 u |
| Formula | C13H12ClNO2S |
| InChI | InChI=1S/C13H12ClNO2S/c1-7-10(8-3-5-9(14)6-4-8)11(12(15)18-7)13(16)17-2/h3-6H,15H2,1-2H3 |
| InChIKey | YDTXFIUCMWUHLI-UHFFFAOYSA-N |
| Molecular Weight | 281.757 g/mol |
| SMILES | NC1=C(C(=C(C)S1)C1=CC=C(Cl)C=C1)C(=O)OC |