| SpectraBase Compound ID | DusaVayoecP |
|---|---|
| InChI | InChI=1S/C21H30N2O2/c1-2-3-5-13-21(25)22-14-9-16-23-15-8-12-19(23)17-20(24)18-10-6-4-7-11-18/h4,6-7,10-11,17H,2-3,5,8-9,12-16H2,1H3,(H,22,25)/b19-17+ |
| InChIKey | PEIVVGDDDSOMPU-HTXNQAPBSA-N |
| Mol Weight | 342.48 g/mol |
| Molecular Formula | C21H30N2O2 |
| Exact Mass | 342.230728 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 15sg5hTQ6gc |
|---|---|
| Name | (E)-2-Benzoylmethylene-1-(3-hexanoylaminopropyl)pyrrolidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.230728212 u |
| Formula | C21H30N2O2 |
| InChI | InChI=1S/C21H30N2O2/c1-2-3-5-13-21(25)22-14-9-16-23-15-8-12-19(23)17-20(24)18-10-6-4-7-11-18/h4,6-7,10-11,17H,2-3,5,8-9,12-16H2,1H3,(H,22,25)/b19-17+ |
| InChIKey | PEIVVGDDDSOMPU-HTXNQAPBSA-N |
| Molecular Weight | 342.483 g/mol |
| SMILES | C(N1\C(=C\C(=O)C2=CC=CC=C2)CCC1)CCNC(=O)CCCCC |