| SpectraBase Compound ID | 2MCKVQZHQRU |
|---|---|
| InChI | InChI=1S/C6H9NO/c1-3-5-7-6(8)4-2/h1H,4-5H2,2H3,(H,7,8) |
| InChIKey | WQRUWIPOVKUKAI-UHFFFAOYSA-N |
| Mol Weight | 111.14 g/mol |
| Molecular Formula | C6H9NO |
| Exact Mass | 111.068414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KR3vzaPRR0v |
|---|---|
| Name | N-(Prop-2-yn-1-yl)propionamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 111.068413913 u |
| Formula | C6H9NO |
| InChI | InChI=1S/C6H9NO/c1-3-5-7-6(8)4-2/h1H,4-5H2,2H3,(H,7,8) |
| InChIKey | WQRUWIPOVKUKAI-UHFFFAOYSA-N |
| Molecular Weight | 111.144 g/mol |
| SMILES | CCC(=O)NCC#C |