![Benzo[b]thiophen-2-amine, 3-phenyl-N-(phenylmethylene)-](/api/spectrum/IAY5iMN7hEX/structure.png?h=300&w=458 "Benzo[b]thiophen-2-amine, 3-phenyl-N-(phenylmethylene)-")
| SpectraBase Compound ID | K7UE4s7gddL |
|---|---|
| InChI | InChI=1S/C21H15NS/c1-3-9-16(10-4-1)15-22-21-20(17-11-5-2-6-12-17)18-13-7-8-14-19(18)23-21/h1-15H/b22-15+ |
| InChIKey | SCNLIJKRECMUPE-PXLXIMEGSA-N |
| Mol Weight | 313.42 g/mol |
| Molecular Formula | C21H15NS |
| Exact Mass | 313.092521 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IAY5iMN7hEX |
|---|---|
| Name | Benzo[B]thiophen-2-amine, 3-phenyl-N-(phenylmethylene)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.092520661 u |
| Formula | C21H15NS |
| InChI | InChI=1S/C21H15NS/c1-3-9-16(10-4-1)15-22-21-20(17-11-5-2-6-12-17)18-13-7-8-14-19(18)23-21/h1-15H/b22-15+ |
| InChIKey | SCNLIJKRECMUPE-PXLXIMEGSA-N |
| Molecular Weight | 313.418 g/mol |
| SMILES | C1(\C=N\C2=C(C3=CC=CC=C3S2)C2=CC=CC=C2)=CC=CC=C1 |