| SpectraBase Compound ID | KDvCt0jR65s |
|---|---|
| InChI | InChI=1S/C17H11N3O/c21-15(12-11-13-7-3-1-4-8-13)17-16(18-20-19-17)14-9-5-2-6-10-14/h1-10H,(H,18,19,20) |
| InChIKey | KEOZROGWNNBFHJ-UHFFFAOYSA-N |
| Mol Weight | 273.29 g/mol |
| Molecular Formula | C17H11N3O |
| Exact Mass | 273.090212 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | wET5IgRcuN |
|---|---|
| Name | 2-Propyn-1-one, 3-phenyl-1-(5-phenyl-1H-1,2,3-triazol-4-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.090211985 u |
| Formula | C17H11N3O |
| InChI | InChI=1S/C17H11N3O/c21-15(12-11-13-7-3-1-4-8-13)17-16(18-20-19-17)14-9-5-2-6-10-14/h1-10H,(H,18,19,20) |
| InChIKey | KEOZROGWNNBFHJ-UHFFFAOYSA-N |
| Molecular Weight | 273.295 g/mol |
| SMILES | C1(=C(NN=N1)C1=CC=CC=C1)C(C#CC=1C=CC=CC1)=O |