| SpectraBase Compound ID | Bm1SBXPXQVq |
|---|---|
| InChI | InChI=1S/C13H12BrNO2S/c1-2-17-13(16)11-10(7-18-12(11)15)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3 |
| InChIKey | SEWFWRCESBYGFS-UHFFFAOYSA-N |
| Mol Weight | 326.21 g/mol |
| Molecular Formula | C13H12BrNO2S |
| Exact Mass | 324.977213 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 | H4jLS5MBA5i |
|---|---|
| Name | Ethyl 2-amino-4-(4-bromophenyl)-3-thiophenecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.977212802 u |
| Formula | C13H12BrNO2S |
| InChI | InChI=1S/C13H12BrNO2S/c1-2-17-13(16)11-10(7-18-12(11)15)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3 |
| InChIKey | SEWFWRCESBYGFS-UHFFFAOYSA-N |
| Molecular Weight | 326.208 g/mol |
| SMILES | C=1(SC=C(C1C(=O)OCC)C1=CC=C(C=C1)Br)N |