| SpectraBase Compound ID | HnHCSja2cVN |
|---|---|
| InChI | InChI=1S/C21H25NO3/c1-24-19-9-7-18(8-10-19)21(23)25-20-12-15-22(16-13-20)14-11-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3 |
| InChIKey | XRSPSRVNXYISFH-UHFFFAOYSA-N |
| Mol Weight | 339.44 g/mol |
| Molecular Formula | C21H25NO3 |
| Exact Mass | 339.183444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4caSUytunAT |
|---|---|
| Name | 1-(2-Phenylethyl)piperidin-4-yl-4-methoxy benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.183443666 u |
| Formula | C21H25NO3 |
| InChI | InChI=1S/C21H25NO3/c1-24-19-9-7-18(8-10-19)21(23)25-20-12-15-22(16-13-20)14-11-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3 |
| InChIKey | XRSPSRVNXYISFH-UHFFFAOYSA-N |
| Molecular Weight | 339.435 g/mol |
| SMILES | C=1(C(OC2CCN(CC2)CCC2=CC=CC=C2)=O)C=CC(=CC1)OC |