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4-Bromophenethylamine 4-propylbenzoyl
SpectraBase Compound ID FwIgTQJwa9J
InChI InChI=1S/C18H20BrNO/c1-2-3-14-4-8-16(9-5-14)18(21)20-13-12-15-6-10-17(19)11-7-15/h4-11H,2-3,12-13H2,1H3,(H,20,21)
InChIKey CPKBTQZVRWVVSK-UHFFFAOYSA-N
Mol Weight 346.27 g/mol
Molecular Formula C18H20BrNO
Exact Mass 345.072827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIKUrhhGeoq
Name 4-Bromophenethylamine 4-propylbenzoyl
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 345.072827267 u
Formula C18H20BrNO
InChI InChI=1S/C18H20BrNO/c1-2-3-14-4-8-16(9-5-14)18(21)20-13-12-15-6-10-17(19)11-7-15/h4-11H,2-3,12-13H2,1H3,(H,20,21)
InChIKey CPKBTQZVRWVVSK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 346.268 g/mol
Nominal Mass 345 u
Quality 986
Retention Index 2442
SMILES C=1(C(NCCC2=CC=C(C=C2)Br)=O)C=CC(=CC1)CCC
SPLASH splash10-0002-2901000000-459e35ec2ed46cb50667
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-[2-(4-Bromophenyl)ethyl]-4-propylbenzamide
Technique GC/MS
Wiley ID DD2024_023373