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1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl-3-methoxy benzoate
SpectraBase Compound ID 6Myab9GQNyO
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
Mol Weight 357.43 g/mol
Molecular Formula C21H24FNO3
Exact Mass 357.174022 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lv1WZEDMno
Name 1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl-3-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/c1-25-20-4-2-3-17(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
Ionization Type Electron Ionization (EI)
Molecular Weight 357.425 g/mol
Nominal Mass 357 u
Quality 999
Retention Index 2800
SMILES C1(C(OC2CCN(CC2)CCC=2C=CC(=CC2)F)=O)=CC(=CC=C1)OC
SPLASH splash10-000b-3960000000-c86309d1d7c8de7e5904
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_029376