| SpectraBase Compound ID | 495l1lnTm9f |
|---|---|
| InChI | InChI=1S/C21H23NO3/c23-20(17-9-3-1-4-10-17)22-15-8-7-13-19(22)14-16-25-21(24)18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2 |
| InChIKey | KQSTVJFKDQEDDM-UHFFFAOYSA-N |
| Mol Weight | 337.42 g/mol |
| Molecular Formula | C21H23NO3 |
| Exact Mass | 337.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DnySEtfXoZK |
|---|---|
| Name | 2-(1-Benzoyl-2-piperidyl)ethyl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.167793602 u |
| Formula | C21H23NO3 |
| InChI | InChI=1S/C21H23NO3/c23-20(17-9-3-1-4-10-17)22-15-8-7-13-19(22)14-16-25-21(24)18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2 |
| InChIKey | KQSTVJFKDQEDDM-UHFFFAOYSA-N |
| Molecular Weight | 337.419 g/mol |
| SMILES | C(N1C(CCOC(=O)C=2C=CC=CC2)CCCC1)(=O)C1=CC=CC=C1 |