| SpectraBase Spectrum ID |
3ZGiKOIoYNb |
| Name |
1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl-3-methoxy benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.174021797 u |
| Formula |
C21H24FNO3 |
| InChI |
InChI=1S/C21H24FNO3/c1-25-20-4-2-3-17(15-20)21(24)26-19-10-13-23(14-11-19)12-9-16-5-7-18(22)8-6-16/h2-8,15,19H,9-14H2,1H3 |
| InChIKey |
GZAYOTOJHJRCMJ-UHFFFAOYSA-N |
| Molecular Weight |
357.425 g/mol |
| SMILES |
C1(C(OC2CCN(CC2)CCC=2C=CC(=CC2)F)=O)=CC(=CC=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900764 |
![1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl-3-methoxy benzoate](/api/spectrum/3ZGiKOIoYNb/structure.png?h=300&w=458 "1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl-3-methoxy benzoate")
