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N-(3-Pentyl)-4-chlorobenzylamine
SpectraBase Compound ID 4afMxf2f5ud
InChI InChI=1S/C12H18ClN/c1-3-12(4-2)14-9-10-5-7-11(13)8-6-10/h5-8,12,14H,3-4,9H2,1-2H3
InChIKey NKFQYHXJWAQCRM-UHFFFAOYSA-N
Mol Weight 211.74 g/mol
Molecular Formula C12H18ClN
Exact Mass 211.112777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmHUlemcH0i
Name N-(3-Pentyl)-4-chlorobenzylamine
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 211.112777284 u
Formula C12H18ClN
InChI InChI=1S/C12H18ClN/c1-3-12(4-2)14-9-10-5-7-11(13)8-6-10/h5-8,12,14H,3-4,9H2,1-2H3
InChIKey NKFQYHXJWAQCRM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 211.736 g/mol
Nominal Mass 211 u
Quality 901
Retention Index 1558
SMILES C=1(CNC(CC)CC)C=CC(=CC1)Cl
SPLASH splash10-0059-1900000000-5166fce28b539921ebca
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(3-Pentyl)-4-chlorobenzenemethanamine N-(4-chlorobenzyl)pentan-3-amine
Technique GC/MS
Wiley ID DD2024_013588