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Phenylpropylamine N-2-chlorobenzyl
SpectraBase Compound ID AcUhGQ1Hqem
InChI InChI=1S/C16H18ClN/c17-16-11-5-4-10-15(16)13-18-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,18H,6,9,12-13H2
InChIKey BDJQBMFAPBDWMS-UHFFFAOYSA-N
Mol Weight 259.78 g/mol
Molecular Formula C16H18ClN
Exact Mass 259.112777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2onKm6vh5lI
Name Phenylpropylamine N-2-chlorobenzyl
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 259.112777284 u
Formula C16H18ClN
InChI InChI=1S/C16H18ClN/c17-16-11-5-4-10-15(16)13-18-12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11,18H,6,9,12-13H2
InChIKey BDJQBMFAPBDWMS-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 259.780 g/mol
Nominal Mass 259 u
Quality 969
Retention Index 2063
SMILES C1(=C(C=CC=C1)Cl)CNCCCC=1C=CC=CC1
SPLASH splash10-0fb9-3900000000-9fbcbedefb5f2a071408
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(2-Chlorobenzyl)-3-phenylpropan-1-amine
Technique GC/MS
Wiley ID DD2024_022175