| SpectraBase Compound ID | LjLyJ90tHPW |
|---|---|
| InChI | InChI=1S/C13H17NO/c1-3-4-8-11(2)13(15)14-12-9-6-5-7-10-12/h3-7,9-11H,8H2,1-2H3,(H,14,15)/b4-3+ |
| InChIKey | RJTDWHKCGHMQSB-ONEGZZNKSA-N |
| Mol Weight | 203.28 g/mol |
| Molecular Formula | C13H17NO |
| Exact Mass | 203.131014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FNK9Y0uwGxj |
|---|---|
| Name | 4-Hexenamide, 2-methyl-N-phenyl-, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.131014170 u |
| Formula | C13H17NO |
| InChI | InChI=1S/C13H17NO/c1-3-4-8-11(2)13(15)14-12-9-6-5-7-10-12/h3-7,9-11H,8H2,1-2H3,(H,14,15)/b4-3+ |
| InChIKey | RJTDWHKCGHMQSB-ONEGZZNKSA-N |
| Molecular Weight | 203.285 g/mol |
| SMILES | C(NC1=CC=CC=C1)(=O)C(C\C=C\C)C |