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N-4-Fluorophenyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
SpectraBase Compound ID JtuF5UUhAv5
InChI InChI=1S/C27H27FN2O3/c1-19(20-5-3-2-4-6-20)29-15-13-24(14-16-29)30(23-10-8-22(28)9-11-23)27(31)21-7-12-25-26(17-21)33-18-32-25/h2-12,17,19,24H,13-16,18H2,1H3
InChIKey RYTOGNAZXYCIIF-UHFFFAOYSA-N
Mol Weight 446.52 g/mol
Molecular Formula C27H27FN2O3
Exact Mass 446.200571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnbjWX4barY
Name N-4-Fluorophenyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,3-benzodioxole-5-carboxamide
Classification Fentalogue
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 446.200570897 u
Formula C27H27FN2O3
InChI InChI=1S/C27H27FN2O3/c1-19(20-5-3-2-4-6-20)29-15-13-24(14-16-29)30(23-10-8-22(28)9-11-23)27(31)21-7-12-25-26(17-21)33-18-32-25/h2-12,17,19,24H,13-16,18H2,1H3
InChIKey RYTOGNAZXYCIIF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 446.522 g/mol
Nominal Mass 446 u
Quality 980
Retention Index 3441
SMILES C(N(C1CCN(C(C=2C=CC=CC2)C)CC1)C1=CC=C(C=C1)F)(C=1C=C2C(=CC1)OCO2)=O
SPLASH splash10-001j-5910000000-256f9db797815cb11be3
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+(1,3-benzodioxole-5-carbonyl)-phenyl+(4-fluorophenyl)-phenethyl+1-phenylethyl)
Technique GC/MS
Wiley ID DD2024_032411