SpectraBase Spectrum ID |
5ZbpwqSeLi4 |
Name |
1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl-4-methoxy benzoate |
Classification |
Chemical |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
357.174021797 u |
Formula |
C21H24FNO3 |
InChI |
InChI=1S/C21H24FNO3/c1-25-19-8-4-17(5-9-19)21(24)26-20-11-14-23(15-12-20)13-10-16-2-6-18(22)7-3-16/h2-9,20H,10-15H2,1H3 |
InChIKey |
IOTBPUQBCMTJKC-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
357.425 g/mol |
Nominal Mass |
357 u |
Quality |
998 |
Retention Index |
2880 |
SMILES |
C1(C(OC2CCN(CC2)CCC=2C=CC(=CC2)F)=O)=CC=C(C=C1)OC |
SPLASH |
splash10-000j-2950000000-631c4038fda8599d6973 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Technique |
GC/MS |
Wiley ID |
DD2024_029377 |