| SpectraBase Compound ID | JsaXfyALDgV |
|---|---|
| InChI | InChI=1S/C7H13NO/c1-4-5-7(9)8-6(2)3/h4-6H,1-3H3,(H,8,9)/b5-4- |
| InChIKey | PMYOYDPRILKMKB-PLNGDYQASA-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 | FqCDFmpanmt |
|---|---|
| Name | (Z)-N-Isopropylbut-2-enamide |
| 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/c1-4-5-7(9)8-6(2)3/h4-6H,1-3H3,(H,8,9)/b5-4- |
| InChIKey | PMYOYDPRILKMKB-PLNGDYQASA-N |
| Molecular Weight | 127.187 g/mol |
| SMILES | C(NC(C)C)(\C=C/C)=O |