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N-3-Methylphenyl-N-(1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl)prop-2-enamide
SpectraBase Compound ID 8Ans1c63x67
InChI InChI=1S/C21H26N2OS/c1-3-21(24)23(19-7-4-6-17(2)16-19)18-9-12-22(13-10-18)14-11-20-8-5-15-25-20/h3-8,15-16,18H,1,9-14H2,2H3
InChIKey IIZKEJKBNRJUFB-UHFFFAOYSA-N
Mol Weight 354.51 g/mol
Molecular Formula C21H26N2OS
Exact Mass 354.176585 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kix7LZ47p4l
Name N-3-Methylphenyl-N-(1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl)prop-2-enamide
Classification Fentanyl opioid
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 354.176584638 u
Formula C21H26N2OS
InChI InChI=1S/C21H26N2OS/c1-3-21(24)23(19-7-4-6-17(2)16-19)18-9-12-22(13-10-18)14-11-20-8-5-15-25-20/h3-8,15-16,18H,1,9-14H2,2H3
InChIKey IIZKEJKBNRJUFB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 354.512 g/mol
Nominal Mass 354 u
Quality 1000
Retention Index 2816
SMILES C1(N(C2=CC(=CC=C2)C)C(C=C)=O)CCN(CC1)CCC=1SC=CC1
SPLASH splash10-0a4l-9350000000-bb25205e248cd28a1bb8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+acryloyl-phenyl+(3-methylphenyl-phenethyl+(thiophen-2-yl-ethyl))
Technique GC/MS
Wiley ID DD2024_028622