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N-4-Methylphenyl-N-(1-[2-(thiophen-2-yl)ethyl]piperidin-4-yl)prop-2-enamide
SpectraBase Compound ID JYLkU8pfR5c
InChI InChI=1S/C21H26N2OS/c1-3-21(24)23(18-8-6-17(2)7-9-18)19-10-13-22(14-11-19)15-12-20-5-4-16-25-20/h3-9,16,19H,1,10-15H2,2H3
InChIKey LFRKDUXSMJDWBT-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 Dk6uk2ht8JE
Name N-4-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(18-8-6-17(2)7-9-18)19-10-13-22(14-11-19)15-12-20-5-4-16-25-20/h3-9,16,19H,1,10-15H2,2H3
InChIKey LFRKDUXSMJDWBT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 354.512 g/mol
Nominal Mass 354 u
Quality 999
Retention Index 2859
SMILES C1(N(C=2C=CC(=CC2)C)C(C=C)=O)CCN(CC1)CCC=1SC=CC1
SPLASH splash10-0btc-9560000000-414518af9bb6c8959792
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+acryloyl-phenyl+(4-methylphenyl-phenethyl+(thiophen-2-yl-ethyl))
Technique GC/MS
Wiley ID DD2024_028615