| SpectraBase Compound ID | 4GcgnmMkE6m |
|---|---|
| InChI | InChI=1S/C18H13NO/c20-18(14-13-17-10-5-2-6-11-17)19-15-7-12-16-8-3-1-4-9-16/h1-6,8-11H,15H2,(H,19,20) |
| InChIKey | TVVMBZYBMKWNDU-UHFFFAOYSA-N |
| Mol Weight | 259.31 g/mol |
| Molecular Formula | C18H13NO |
| Exact Mass | 259.099714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KxcEvfHhzBl |
|---|---|
| Name | 3-Phenyl-N-(3-phenylprop-2-yn-1-yl)propiolamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.099714042 u |
| Formula | C18H13NO |
| InChI | InChI=1S/C18H13NO/c20-18(14-13-17-10-5-2-6-11-17)19-15-7-12-16-8-3-1-4-9-16/h1-6,8-11H,15H2,(H,19,20) |
| InChIKey | TVVMBZYBMKWNDU-UHFFFAOYSA-N |
| Molecular Weight | 259.308 g/mol |
| SMILES | C=1(C=CC=CC1)C#CCNC(C#CC1=CC=CC=C1)=O |