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3-Methylbenzylamine BUT
SpectraBase Compound ID K4LrBUUxEl1
InChI InChI=1S/C12H17NO/c1-3-5-12(14)13-9-11-7-4-6-10(2)8-11/h4,6-8H,3,5,9H2,1-2H3,(H,13,14)
InChIKey MSECUELKSSJVBH-UHFFFAOYSA-N
Mol Weight 191.27 g/mol
Molecular Formula C12H17NO
Exact Mass 191.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkGiJhNNsfY
Name 3-Methylbenzylamine BUT
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 191.131014170 u
Formula C12H17NO
InChI InChI=1S/C12H17NO/c1-3-5-12(14)13-9-11-7-4-6-10(2)8-11/h4,6-8H,3,5,9H2,1-2H3,(H,13,14)
InChIKey MSECUELKSSJVBH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 191.274 g/mol
Nominal Mass 191 u
Quality 989
Retention Index 1754
SMILES C(NC(CCC)=O)C1=CC(=CC=C1)C
SPLASH splash10-0596-3900000000-014711d12bb72332133b
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(3-Methylbenzyl)butyramide N-Butyryl-(3-methylphenyl)methanamine
Technique GC/MS
Wiley ID DD2024_004554