![2-[4-(2-Aminophenyl)-1,3-butadiynyl]phenyl amine](/api/spectrum/1qNmuQhuq7D/structure.png?h=300&w=458 "2-[4-(2-Aminophenyl)-1,3-butadiynyl]phenyl amine")
| SpectraBase Compound ID | 817qNHYhybf |
|---|---|
| InChI | InChI=1S/C16H12N2/c17-15-11-5-3-9-13(15)7-1-2-8-14-10-4-6-12-16(14)18/h3-6,9-12H,17-18H2 |
| InChIKey | ZGADPHGEVFIWAD-UHFFFAOYSA-N |
| Mol Weight | 232.29 g/mol |
| Molecular Formula | C16H12N2 |
| Exact Mass | 232.100048 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1qNmuQhuq7D |
|---|---|
| Name | 2-[4-(2-Aminophenyl)-1,3-butadiynyl]phenyl amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.100048394 u |
| Formula | C16H12N2 |
| InChI | InChI=1S/C16H12N2/c17-15-11-5-3-9-13(15)7-1-2-8-14-10-4-6-12-16(14)18/h3-6,9-12H,17-18H2 |
| InChIKey | ZGADPHGEVFIWAD-UHFFFAOYSA-N |
| Molecular Weight | 232.286 g/mol |
| SMILES | C(C#CC=1C(N)=CC=CC1)#CC=1C(N)=CC=CC1 |