| SpectraBase Compound ID | 3YfFce6pbzR |
|---|---|
| InChI | InChI=1S/C18H15N3O/c1-22-15-9-7-14(8-10-15)21-12-17(16(11-19)18(21)20)13-5-3-2-4-6-13/h2-10,12H,20H2,1H3 |
| InChIKey | OGTJFIPAHTVRGZ-UHFFFAOYSA-N |
| Mol Weight | 289.34 g/mol |
| Molecular Formula | C18H15N3O |
| Exact Mass | 289.121512 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A79sXpxWLCx |
|---|---|
| Name | 2-Amino-1-(4-methoxyphenyl)-4-phenyl-1H-pyrrole-3-carbonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.121512114 u |
| Formula | C18H15N3O |
| InChI | InChI=1S/C18H15N3O/c1-22-15-9-7-14(8-10-15)21-12-17(16(11-19)18(21)20)13-5-3-2-4-6-13/h2-10,12H,20H2,1H3 |
| InChIKey | OGTJFIPAHTVRGZ-UHFFFAOYSA-N |
| Molecular Weight | 289.338 g/mol |
| SMILES | C=1(N(C=C(C1C#N)C1=CC=CC=C1)C1=CC=C(C=C1)OC)N |