| SpectraBase Compound ID | LUAWgsPWbiV |
|---|---|
| InChI | InChI=1S/C14H17NO/c1-12-4-6-13(7-5-12)8-9-14(16)15-10-2-3-11-15/h4-9H,2-3,10-11H2,1H3/b9-8+ |
| InChIKey | SDJJMDDZCZZJDC-CMDGGOBGSA-N |
| Mol Weight | 215.3 g/mol |
| Molecular Formula | C14H17NO |
| Exact Mass | 215.131014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | oZHkMCkrsO |
|---|---|
| Name | (E)-1-(Pyrrolidin-1-yl)-3-p-tolylprop-2-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.131014170 u |
| Formula | C14H17NO |
| InChI | InChI=1S/C14H17NO/c1-12-4-6-13(7-5-12)8-9-14(16)15-10-2-3-11-15/h4-9H,2-3,10-11H2,1H3/b9-8+ |
| InChIKey | SDJJMDDZCZZJDC-CMDGGOBGSA-N |
| Molecular Weight | 215.296 g/mol |
| SMILES | C(\C=C\C=1C=CC(=CC1)C)(=O)N1CCCC1 |