| SpectraBase Compound ID | 9HizSFN6Pye |
|---|---|
| InChI | InChI=1S/C15H17NO2S/c1-9(2)18-15(17)13-12(8-19-14(13)16)11-6-4-10(3)5-7-11/h4-9H,16H2,1-3H3 |
| InChIKey | ZWJLRSGOEDNXTE-UHFFFAOYSA-N |
| Mol Weight | 275.37 g/mol |
| Molecular Formula | C15H17NO2S |
| Exact Mass | 275.098 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 163RnIXrajr |
|---|---|
| Name | Isopropyl 2-amino-4-(4-methylphenyl)-3-thiophenecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.097999963 u |
| Formula | C15H17NO2S |
| InChI | InChI=1S/C15H17NO2S/c1-9(2)18-15(17)13-12(8-19-14(13)16)11-6-4-10(3)5-7-11/h4-9H,16H2,1-3H3 |
| InChIKey | ZWJLRSGOEDNXTE-UHFFFAOYSA-N |
| Molecular Weight | 275.366 g/mol |
| SMILES | NC1=C(C(OC(C)C)=O)C(=CS1)C1=CC=C(C=C1)C |