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N-[3-(Trifluoromethyl)benzyl]-N-(3-iodophenyl)-1-(2-phenylethyl)piperidin-4-amine
SpectraBase Compound ID 6RPWHMeSXJs
InChI InChI=1S/C27H28F3IN2/c28-27(29,30)23-9-4-8-22(18-23)20-33(26-11-5-10-24(31)19-26)25-13-16-32(17-14-25)15-12-21-6-2-1-3-7-21/h1-11,18-19,25H,12-17,20H2
InChIKey MLGDEDCTFUUIHX-UHFFFAOYSA-N
Mol Weight 564.43 g/mol
Molecular Formula C27H28F3IN2
Exact Mass 564.124928 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JEjKvG5SB0a
Name N-[3-(Trifluoromethyl)benzyl]-N-(3-iodophenyl)-1-(2-phenylethyl)piperidin-4-amine
Classification Fentanyl opioid
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 564.124928399 u
Formula C27H28F3IN2
InChI InChI=1S/C27H28F3IN2/c28-27(29,30)23-9-4-8-22(18-23)20-33(26-11-5-10-24(31)19-26)25-13-16-32(17-14-25)15-12-21-6-2-1-3-7-21/h1-11,18-19,25H,12-17,20H2
InChIKey MLGDEDCTFUUIHX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 564.435 g/mol
Nominal Mass 564 u
Quality 999
Retention Index 3302
SMILES C1(N(C=2C=C(C=CC2)I)CC=2C=C(C(F)(F)F)C=CC2)CCN(CC1)CCC=1C=CC=CC1
SPLASH splash10-0595-9610100000-72a9c9c5859448dbef20
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+[3-(trifluoromethyl)benzyl]-phenyl+(3-iodophenyl))
Technique GC/MS
Wiley ID DD2024_033924