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3-Phenylpropylamine N-(3-bromobenzyl)
SpectraBase Compound ID 5QM4612LIN1
InChI InChI=1S/C16H18BrN/c17-16-10-4-8-15(12-16)13-18-11-5-9-14-6-2-1-3-7-14/h1-4,6-8,10,12,18H,5,9,11,13H2
InChIKey SPNYDNFUMUNCOQ-UHFFFAOYSA-N
Mol Weight 304.23 g/mol
Molecular Formula C16H18BrN
Exact Mass 303.062263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GGgKbRcS6y
Name 3-Phenylpropylamine N-(3-bromobenzyl)
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 303.062262584 u
Formula C16H18BrN
InChI InChI=1S/C16H18BrN/c17-16-10-4-8-15(12-16)13-18-11-5-9-14-6-2-1-3-7-14/h1-4,6-8,10,12,18H,5,9,11,13H2
InChIKey SPNYDNFUMUNCOQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 304.231 g/mol
Nominal Mass 303 u
Quality 927
Retention Index 2213
SMILES C=1(CNCCCC=2C=CC=CC2)C=C(C=CC1)Br
SPLASH splash10-0v4m-5921000000-775f1f37e5b0f9c015f6
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(3-Bromobenzyl)-3-phenylpropan-1-amine
Technique GC/MS
Wiley ID DD2024_022510