| SpectraBase Compound ID | 2UB9HgwzyJz |
|---|---|
| InChI | InChI=1S/C14H17NO2/c1-2-7-13(16)10-6-11-14(17)15-12-8-4-3-5-9-12/h2-5,7-9H,6,10-11H2,1H3,(H,15,17)/b7-2+ |
| InChIKey | ZLLVEMQCYKYPNA-FARCUNLSSA-N |
| Mol Weight | 231.29 g/mol |
| Molecular Formula | C14H17NO2 |
| Exact Mass | 231.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HotUorTG8uk |
|---|---|
| Name | (E)-5-oxo-oct-6-Enoic acid phenylamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.125928789 u |
| Formula | C14H17NO2 |
| InChI | InChI=1S/C14H17NO2/c1-2-7-13(16)10-6-11-14(17)15-12-8-4-3-5-9-12/h2-5,7-9H,6,10-11H2,1H3,(H,15,17)/b7-2+ |
| InChIKey | ZLLVEMQCYKYPNA-FARCUNLSSA-N |
| Molecular Weight | 231.295 g/mol |
| SMILES | C(CCCC(\C=C\C)=O)(=O)NC=1C=CC=CC1 |