| SpectraBase Compound ID | 8MwHEVZf8Sl |
|---|---|
| InChI | InChI=1S/C15H12N2O3S/c1-20-11-8-6-10(7-9-11)16-14-12-4-2-3-5-13(12)21-15(14)17(18)19/h2-9,16H,1H3 |
| InChIKey | ASMKKXOINQQUEH-UHFFFAOYSA-N |
| Mol Weight | 300.33 g/mol |
| Molecular Formula | C15H12N2O3S |
| Exact Mass | 300.056863 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 | 9XL4KgHitIs |
|---|---|
| Name | N-(4-Methoxyphenyl)-2-nitro-1-benzothiophen-3-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.056863425 u |
| Formula | C15H12N2O3S |
| InChI | InChI=1S/C15H12N2O3S/c1-20-11-8-6-10(7-9-11)16-14-12-4-2-3-5-13(12)21-15(14)17(18)19/h2-9,16H,1H3 |
| InChIKey | ASMKKXOINQQUEH-UHFFFAOYSA-N |
| Molecular Weight | 300.332 g/mol |
| SMILES | C1=2SC(=C(C2C=CC=C1)NC1=CC=C(C=C1)OC)N(=O)=O |