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1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl-4-methoxy benzoate
SpectraBase Compound ID D7DtpAqMZCO
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
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 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