| SpectraBase Compound ID | 953dQQABm9j |
|---|---|
| InChI | InChI=1S/C16H19NO2S/c1-4-19-16(18)14-13(9-20-15(14)17)12-7-5-11(6-8-12)10(2)3/h5-10H,4,17H2,1-3H3 |
| InChIKey | AVVSSBPDKUXIQQ-UHFFFAOYSA-N |
| Mol Weight | 289.39 g/mol |
| Molecular Formula | C16H19NO2S |
| Exact Mass | 289.11365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JVDnySFgICQ |
|---|---|
| Name | Ethyl 2-amino-4-(4-isopropylphenyl)-3-thiophenecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.113650028 u |
| Formula | C16H19NO2S |
| InChI | InChI=1S/C16H19NO2S/c1-4-19-16(18)14-13(9-20-15(14)17)12-7-5-11(6-8-12)10(2)3/h5-10H,4,17H2,1-3H3 |
| InChIKey | AVVSSBPDKUXIQQ-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)C=1C(=CSC1N)C1=CC=C(C=C1)C(C)C |