![N-[2-[(E)-3-ketobut-1-enyl]phenyl]acetamide](/api/spectrum/5b7P3DWNSZE/structure.png?h=300&w=458 "N-[2-[(E)-3-ketobut-1-enyl]phenyl]acetamide")
| SpectraBase Compound ID | 75UrWJUCqB6 |
|---|---|
| InChI | InChI=1S/C12H13NO2/c1-9(14)7-8-11-5-3-4-6-12(11)13-10(2)15/h3-8H,1-2H3,(H,13,15)/b8-7+ |
| InChIKey | HQUKEVDDSVDHAA-BQYQJAHWSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C12H13NO2 |
| Exact Mass | 203.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5b7P3DWNSZE |
|---|---|
| Name | N-[2-[(E)-3-Ketobut-1-enyl]phenyl]acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.094628661 u |
| Formula | C12H13NO2 |
| InChI | InChI=1S/C12H13NO2/c1-9(14)7-8-11-5-3-4-6-12(11)13-10(2)15/h3-8H,1-2H3,(H,13,15)/b8-7+ |
| InChIKey | HQUKEVDDSVDHAA-BQYQJAHWSA-N |
| Molecular Weight | 203.241 g/mol |
| SMILES | C=1(NC(=O)C)C(\C=C\C(=O)C)=CC=CC1 |