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1-[2-(4-Fluorophenyl)ethyl]-N-3-iodoobenzyl-N-4-methoxyphenylpiperidin-4-amine
SpectraBase Compound ID 1WeqkVS2U4n
InChI InChI=1S/C27H30FIN2O/c1-32-27-11-9-25(10-12-27)31(20-22-3-2-4-24(29)19-22)26-14-17-30(18-15-26)16-13-21-5-7-23(28)8-6-21/h2-12,19,26H,13-18,20H2,1H3
InChIKey VDUNQSTYZNEZKX-UHFFFAOYSA-N
Mol Weight 544.45 g/mol
Molecular Formula C27H30FIN2O
Exact Mass 544.138687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JI8fcUlmzce
Name 1-[2-(4-Fluorophenyl)ethyl]-N-3-iodoobenzyl-N-4-methoxyphenylpiperidin-4-amine
Classification Fentanyl opioid
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 544.138686756 u
Formula C27H30FIN2O
InChI InChI=1S/C27H30FIN2O/c1-32-27-11-9-25(10-12-27)31(20-22-3-2-4-24(29)19-22)26-14-17-30(18-15-26)16-13-21-5-7-23(28)8-6-21/h2-12,19,26H,13-18,20H2,1H3
InChIKey VDUNQSTYZNEZKX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 544.453 g/mol
Nominal Mass 544 u
Quality 997
Retention Index 3881
SMILES C1(N(C2=CC=C(C=C2)OC)CC=2C=C(C=CC2)I)CCN(CC1)CCC=1C=CC(=CC1)F
SPLASH splash10-0002-9832100000-6c0dd0d4f55aba825ed1
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+(3-iodobenzyl)-phenyl+(4-methoxyphenyl)-phenethyl+[2-(4-fluorophenylethyl)])
Technique GC/MS
Wiley ID DD2024_031068