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2,2,3,3,3-pentafluoro-N-3-fluorophenyl-N-[1-(1-phenylethyl)piperidin-4-yl]propanamide
SpectraBase Compound ID I1nXf2jMr5l
InChI InChI=1S/C22H22F6N2O/c1-15(16-6-3-2-4-7-16)29-12-10-18(11-13-29)30(19-9-5-8-17(23)14-19)20(31)21(24,25)22(26,27)28/h2-9,14-15,18H,10-13H2,1H3
InChIKey BUUFGWAPJZLEJW-UHFFFAOYSA-N
Mol Weight 444.42 g/mol
Molecular Formula C22H22F6N2O
Exact Mass 444.163632 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Zn70KVMqzg
Name 2,2,3,3,3-pentafluoro-N-3-fluorophenyl-N-[1-(1-phenylethyl)piperidin-4-yl]propanamide
Classification Fentanyl opioid
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 444.163632313 u
Formula C22H22F6N2O
InChI InChI=1S/C22H22F6N2O/c1-15(16-6-3-2-4-7-16)29-12-10-18(11-13-29)30(19-9-5-8-17(23)14-19)20(31)21(24,25)22(26,27)28/h2-9,14-15,18H,10-13H2,1H3
InChIKey BUUFGWAPJZLEJW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 444.421 g/mol
Nominal Mass 444 u
Quality 996
Retention Index 2318
SMILES C(N(C1CCN(C(C=2C=CC=CC2)C)CC1)C1=CC(=CC=C1)F)(C(C(F)(F)F)(F)F)=O
SPLASH splash10-056r-5901400000-9eaa8d246df5834d375a
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+(2,2,3,3,3-pentafluoropropionyl)-phenyl+(3-fluorophenyl)-phenethyl+1-phenylethyl)
Technique GC/MS
Wiley ID DD2024_032944