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N-(3-Bromophenyl)-4-butyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide
SpectraBase Compound ID 2GRWd8fUITC
InChI InChI=1S/C30H35BrN2O/c1-2-3-8-25-13-15-26(16-14-25)30(34)33(29-12-7-11-27(31)23-29)28-18-21-32(22-19-28)20-17-24-9-5-4-6-10-24/h4-7,9-16,23,28H,2-3,8,17-22H2,1H3
InChIKey REBKLXJJDQKXNA-UHFFFAOYSA-N
Mol Weight 519.5 g/mol
Molecular Formula C30H35BrN2O
Exact Mass 518.193277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IZoLbaOxOa
Name N-(3-Bromophenyl)-4-butyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide
Classification Fentanyl opioid
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 518.193276754 u
Formula C30H35BrN2O
InChI InChI=1S/C30H35BrN2O/c1-2-3-8-25-13-15-26(16-14-25)30(34)33(29-12-7-11-27(31)23-29)28-18-21-32(22-19-28)20-17-24-9-5-4-6-10-24/h4-7,9-16,23,28H,2-3,8,17-22H2,1H3
InChIKey REBKLXJJDQKXNA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 519.527 g/mol
Nominal Mass 518 u
Quality 1000
Retention Index 3822
SMILES C(N(C1CCN(CC1)CCC=1C=CC=CC1)C=1C=C(C=CC1)Br)(C=1C=CC(=CC1)CCCC)=O
SPLASH splash10-03di-1900200000-9f5683c5bac4b31b5993
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+(4-butylbenzoyl)-phenyl+(3-bromophenyl))
Technique GC/MS
Wiley ID DD2024_034038