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2,2,2-Trifluoro-N-(3-iodophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SpectraBase Compound ID FzMCFeT9W7V
InChI InChI=1S/C21H22F3IN2O/c22-21(23,24)20(28)27(19-8-4-7-17(25)15-19)18-10-13-26(14-11-18)12-9-16-5-2-1-3-6-16/h1-8,15,18H,9-14H2
InChIKey QIXMMCPMXGLGSG-UHFFFAOYSA-N
Mol Weight 502.32 g/mol
Molecular Formula C21H22F3IN2O
Exact Mass 502.072893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZSt8bsEU2y
Name 2,2,2-Trifluoro-N-(3-iodophenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
Classification Fentanyl opioid
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 502.072892824 u
Formula C21H22F3IN2O
InChI InChI=1S/C21H22F3IN2O/c22-21(23,24)20(28)27(19-8-4-7-17(25)15-19)18-10-13-26(14-11-18)12-9-16-5-2-1-3-6-16/h1-8,15,18H,9-14H2
InChIKey QIXMMCPMXGLGSG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 502.320 g/mol
Nominal Mass 502 u
Quality 1000
Retention Index 2722
SMILES C=1(N(C2CCN(CC2)CCC=2C=CC=CC2)C(C(F)(F)F)=O)C=C(C=CC1)I
SPLASH splash10-01ox-9321200000-efb42fee8f8472c95708
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+(2,2,2-trifluoroacetyl)-phenyl+(3-iodophenyl))
Technique GC/MS
Wiley ID DD2024_033935