| SpectraBase Compound ID | BUGLnHeLJOI |
|---|---|
| InChI | InChI=1S/C7H13NO/c1-3-7(9)5-6-8-4-2/h5-6,8H,3-4H2,1-2H3/b6-5- |
| InChIKey | PFMSLHKFUJOXSD-WAYWQWQTSA-N |
| Mol Weight | 127.19 g/mol |
| Molecular Formula | C7H13NO |
| Exact Mass | 127.099714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JouUFfhwGiP |
|---|---|
| Name | Ethyl-(2-ethylamino-1-ethenyl)-cetone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 127.099714042 u |
| Formula | C7H13NO |
| InChI | InChI=1S/C7H13NO/c1-3-7(9)5-6-8-4-2/h5-6,8H,3-4H2,1-2H3/b6-5- |
| InChIKey | PFMSLHKFUJOXSD-WAYWQWQTSA-N |
| Molecular Weight | 127.187 g/mol |
| SMILES | C(=O)(CC)\C=C/NCC |