| SpectraBase Compound ID | C3HbAXLTt3d |
|---|---|
| InChI | InChI=1S/C13H17NO/c1-11-6-5-7-12(10-11)13(15)14-8-3-2-4-9-14/h5-7,10H,2-4,8-9H2,1H3 |
| InChIKey | RZQSYVFYSMVASQ-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 | 7XRTMeu7vlo |
|---|---|
| Name | 3-Methylbenzoylpiperidine |
| 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/c1-11-6-5-7-12(10-11)13(15)14-8-3-2-4-9-14/h5-7,10H,2-4,8-9H2,1H3 |
| InChIKey | RZQSYVFYSMVASQ-UHFFFAOYSA-N |
| Molecular Weight | 203.285 g/mol |
| SMILES | C1(C(N2CCCCC2)=O)=CC(=CC=C1)C |