| SpectraBase Compound ID | 5m5NS9nZvsj |
|---|---|
| InChI | InChI=1S/C16H12N2/c1-2-7-14(8-3-1)9-6-12-18-13-17-15-10-4-5-11-16(15)18/h1-5,7-8,10-11,13H,12H2 |
| InChIKey | PRZXOEYLZGUZBG-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 | LJgNl54PrpH |
|---|---|
| Name | 1-(3-Phenylprop-2-ynyl)-1H-benzimidazole |
| 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/c1-2-7-14(8-3-1)9-6-12-18-13-17-15-10-4-5-11-16(15)18/h1-5,7-8,10-11,13H,12H2 |
| InChIKey | PRZXOEYLZGUZBG-UHFFFAOYSA-N |
| Molecular Weight | 232.286 g/mol |
| SMILES | C1=NC=2C(N1CC#CC=1C=CC=CC1)=CC=CC2 |