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N-Butyl-3-methylbenzylamine
SpectraBase Compound ID 5XbCfhB5Km2
InChI InChI=1S/C12H19N/c1-3-4-8-13-10-12-7-5-6-11(2)9-12/h5-7,9,13H,3-4,8,10H2,1-2H3
InChIKey WCFIZXRUMMCIQK-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 5YNowKqPUP2
Name N-Butyl-3-methylbenzylamine
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/c1-3-4-8-13-10-12-7-5-6-11(2)9-12/h5-7,9,13H,3-4,8,10H2,1-2H3
InChIKey WCFIZXRUMMCIQK-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 177.291 g/mol
Nominal Mass 177 u
Quality 953
Retention Index 1404
SMILES C=1(C=C(C=CC1)C)CNCCCC
SPLASH splash10-0a59-4900000000-851f5375954f1f52dc0d
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(3-Methylbenzyl)-1-butanamine N-3-Methylbenzylbutanamine N-Butyl-3-methylbenzenemethanamine N-(3-Methylbenzyl)butan-1-amine
Technique GC/MS
Wiley ID DD2024_019968