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N-(3-Iodophenyl)-4-propyl-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide
SpectraBase Compound ID 1Tdgh2irxRH
InChI InChI=1S/C29H33IN2O/c1-2-7-23-12-14-25(15-13-23)29(33)32(28-11-6-10-26(30)22-28)27-17-20-31(21-18-27)19-16-24-8-4-3-5-9-24/h3-6,8-15,22,27H,2,7,16-21H2,1H3
InChIKey YXFDHORLBVZNKU-UHFFFAOYSA-N
Mol Weight 552.5 g/mol
Molecular Formula C29H33IN2O
Exact Mass 552.163759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJHk6ud8Nf6
Name N-(3-Iodophenyl)-4-propyl-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 552.163758690 u
Formula C29H33IN2O
InChI InChI=1S/C29H33IN2O/c1-2-7-23-12-14-25(15-13-23)29(33)32(28-11-6-10-26(30)22-28)27-17-20-31(21-18-27)19-16-24-8-4-3-5-9-24/h3-6,8-15,22,27H,2,7,16-21H2,1H3
InChIKey YXFDHORLBVZNKU-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 552.500 g/mol
Nominal Mass 552 u
Quality 1000
Retention Index 3929
SMILES C(N(C1CCN(CC1)CCC=1C=CC=CC1)C=1C=C(C=CC1)I)(C=1C=CC(=CC1)CCC)=O
SPLASH splash10-0002-2910100000-cb602e91ad47a4fb7589
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Fentanyl(-propionyl+(4-propylbenzoyl)-phenyl+(3-iodophenyl))
Technique GC/MS
Wiley ID DD2024_033942