| SpectraBase Compound ID | 1KTfCjO19ji |
|---|---|
| InChI | InChI=1S/C20H23NO2/c22-20(18-9-5-2-6-10-18)23-19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19H,11-16H2 |
| InChIKey | VBFZQBXELATHDG-UHFFFAOYSA-N |
| Mol Weight | 309.41 g/mol |
| Molecular Formula | C20H23NO2 |
| Exact Mass | 309.172879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LM3T1UTa89u |
|---|---|
| Name | 1-(2-Phenylethyl)piperidin-4-yl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.172878983 u |
| Formula | C20H23NO2 |
| InChI | InChI=1S/C20H23NO2/c22-20(18-9-5-2-6-10-18)23-19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19H,11-16H2 |
| InChIKey | VBFZQBXELATHDG-UHFFFAOYSA-N |
| Molecular Weight | 309.409 g/mol |
| SMILES | C1(OC(C2=CC=CC=C2)=O)CCN(CC1)CCC=1C=CC=CC1 |