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N-(4-Chlorobenzyl)beta-methylphenethylamine
SpectraBase Compound ID FOfhHSdMYt9
InChI InChI=1S/C16H18ClN/c1-13(15-5-3-2-4-6-15)11-18-12-14-7-9-16(17)10-8-14/h2-10,13,18H,11-12H2,1H3
InChIKey AZXKEHQOEMVIQJ-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 JHPaFrjukfg
Name N-(4-Chlorobenzyl)beta-methylphenethylamine
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/c1-13(15-5-3-2-4-6-15)11-18-12-14-7-9-16(17)10-8-14/h2-10,13,18H,11-12H2,1H3
InChIKey AZXKEHQOEMVIQJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 259.780 g/mol
Nominal Mass 259 u
Quality 985
Retention Index 2020
SMILES C(C1=CC=CC=C1)(CNCC=1C=CC(=CC1)Cl)C
SPLASH splash10-0fb9-1900000000-b8db2b3e5f32b2a52170
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(4-Chlorobenzyl)beta-methylbenzeneethanamine N-(4-Chlorobenzyl)-2-phenyl-1-propanamine
Technique GC/MS
Wiley ID DD2024_021750