| SpectraBase Compound ID | 1S0n0AtHTPX |
|---|---|
| InChI | InChI=1S/C16H12N4/c17-10-14-7-4-8-15(9-14)16-12-20(19-18-16)11-13-5-2-1-3-6-13/h1-9,12H,11H2 |
| InChIKey | USWNNHPHFZILPV-UHFFFAOYSA-N |
| Mol Weight | 260.3 g/mol |
| Molecular Formula | C16H12N4 |
| Exact Mass | 260.106196 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ARFCC7KMYhx |
|---|---|
| Name | 3-(1-Benzyl-1H-1,2,3-triazol-4-yl)benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.106196402 u |
| Formula | C16H12N4 |
| InChI | InChI=1S/C16H12N4/c17-10-14-7-4-8-15(9-14)16-12-20(19-18-16)11-13-5-2-1-3-6-13/h1-9,12H,11H2 |
| InChIKey | USWNNHPHFZILPV-UHFFFAOYSA-N |
| Molecular Weight | 260.300 g/mol |
| SMILES | C=1(N=NN(C1)CC=1C=CC=CC1)C1=CC(C#N)=CC=C1 |