![4-[(1-Phenylethyl)amino]pent-3-en-2-one](/api/spectrum/FQp35iMqsJM/structure.png?h=300&w=458 "4-[(1-Phenylethyl)amino]pent-3-en-2-one")
| SpectraBase Compound ID | 2BkKk1PL5fm |
|---|---|
| InChI | InChI=1S/C13H17NO/c1-10(9-11(2)15)14-12(3)13-7-5-4-6-8-13/h4-9,12,14H,1-3H3 |
| InChIKey | IPLGCPNCNNFYEO-UHFFFAOYSA-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 | FQp35iMqsJM |
|---|---|
| Name | 4-[(1-Phenylethyl)amino]pent-3-en-2-one |
| 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/c1-10(9-11(2)15)14-12(3)13-7-5-4-6-8-13/h4-9,12,14H,1-3H3 |
| InChIKey | IPLGCPNCNNFYEO-UHFFFAOYSA-N |
| Molecular Weight | 203.285 g/mol |
| SMILES | CC(=O)\C=C\(C)NC(C)C1=CC=CC=C1 |