| SpectraBase Compound ID | Ittm54CZF2E |
|---|---|
| InChI | InChI=1S/C13H15NO/c1-3-4-5-6-13(15)14-12-9-7-11(2)8-10-12/h7-10H,5-6H2,1-2H3,(H,14,15) |
| InChIKey | JRTSRXLKQDPMJF-UHFFFAOYSA-N |
| Mol Weight | 201.27 g/mol |
| Molecular Formula | C13H15NO |
| Exact Mass | 201.115364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3X0RA3pk9XU |
|---|---|
| Name | N-(4-Methylphenyl)-4-hexynamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.115364106 u |
| Formula | C13H15NO |
| InChI | InChI=1S/C13H15NO/c1-3-4-5-6-13(15)14-12-9-7-11(2)8-10-12/h7-10H,5-6H2,1-2H3,(H,14,15) |
| InChIKey | JRTSRXLKQDPMJF-UHFFFAOYSA-N |
| Molecular Weight | 201.269 g/mol |
| SMILES | N(C(CCC#CC)=O)C=1C=CC(C)=CC1 |