| SpectraBase Compound ID | IsKBZ5sDTA4 |
|---|---|
| InChI | InChI=1S/C13H17NO2/c1-10-6-4-5-9-14(10)13(16)11-7-2-3-8-12(11)15/h2-3,7-8,10,15H,4-6,9H2,1H3 |
| InChIKey | HQNWERLOTKVHFM-UHFFFAOYSA-N |
| Mol Weight | 219.28 g/mol |
| Molecular Formula | C13H17NO2 |
| Exact Mass | 219.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JNIeiwpNC9f |
|---|---|
| Name | (2-Hydroxyphenyl)-2-methylpiperidin-1-yl-methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.125928789 u |
| Formula | C13H17NO2 |
| InChI | InChI=1S/C13H17NO2/c1-10-6-4-5-9-14(10)13(16)11-7-2-3-8-12(11)15/h2-3,7-8,10,15H,4-6,9H2,1H3 |
| InChIKey | HQNWERLOTKVHFM-UHFFFAOYSA-N |
| Molecular Weight | 219.284 g/mol |
| SMILES | C=1C=C(C(N2CCCCC2C)=O)C(O)=CC1 |