| SpectraBase Compound ID | LE0cUmWzerJ |
|---|---|
| InChI | InChI=1S/C19H23NO2S/c1-2-22-19(21)17-16(12-23-18(17)20)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-13H,2-7,20H2,1H3 |
| InChIKey | ALZUZJDASXBUEH-UHFFFAOYSA-N |
| Mol Weight | 329.46 g/mol |
| Molecular Formula | C19H23NO2S |
| Exact Mass | 329.14495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3wNTKzBpTWY |
|---|---|
| Name | Ethyl 2-amino-4-(4-cyclohexylphenyl)-3-thiophenecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.144950157 u |
| Formula | C19H23NO2S |
| InChI | InChI=1S/C19H23NO2S/c1-2-22-19(21)17-16(12-23-18(17)20)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h8-13H,2-7,20H2,1H3 |
| InChIKey | ALZUZJDASXBUEH-UHFFFAOYSA-N |
| Molecular Weight | 329.458 g/mol |
| SMILES | C(OCC)(=O)C=1C(=CSC1N)C1=CC=C(C=C1)C1CCCCC1 |