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N-Butyl-2-methylbenzylamine
SpectraBase Compound ID C8iMbai2ePT
InChI InChI=1S/C12H19N/c1-3-4-9-13-10-12-8-6-5-7-11(12)2/h5-8,13H,3-4,9-10H2,1-2H3
InChIKey MACCIKTTYKTPKG-UHFFFAOYSA-N
Mol Weight 177.29 g/mol
Molecular Formula C12H19N
Exact Mass 177.15175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8GuUj998ZjU
Name N-Butyl-2-methylbenzylamine
CAS Registry Number 60509-42-4
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 177.151749616 u
Formula C12H19N
InChI InChI=1S/C12H19N/c1-3-4-9-13-10-12-8-6-5-7-11(12)2/h5-8,13H,3-4,9-10H2,1-2H3
InChIKey MACCIKTTYKTPKG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 177.291 g/mol
Nominal Mass 177 u
Quality 952
Retention Index 1404
SMILES C=1(C(=CC=CC1)C)CNCCCC
SPLASH splash10-0a4i-4900000000-33959aae682fd516b8cc
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(2-Methylbenzyl)-1-butanamine N-2-Methylbenzylbutanamine N-Butyl-2-methylbenzenemethanamine N-Butyl-(2-methylphenyl)methanamine
Technique GC/MS
Wiley ID DD2024_019965