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3-Methyl-benzylamine
SpectraBase Compound ID 2VxZ4NIdN8C
InChI InChI=1S/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1H3
InChIKey RGXUCUWVGKLACF-UHFFFAOYSA-N
Mol Weight 121.18 g/mol
Molecular Formula C8H11N
Exact Mass 121.089149 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GYKbdYpehtI
Name 3-Methylbenzylamine
CAS Registry Number 100-81-2
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 121.089149358 u
Formula C8H11N
InChI InChI=1S/C8H11N/c1-7-3-2-4-8(5-7)6-9/h2-5H,6,9H2,1H3
InChIKey RGXUCUWVGKLACF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 121.183 g/mol
Nominal Mass 121 u
Quality 966
Retention Index 1113
SMILES NCC1=CC(=CC=C1)C
SPLASH splash10-0zml-8900000000-eacafb98da9aabe9065c
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-Methylbenzenemethanamine (3-Methylphenyl)methanamine
Technique GC/MS
Wiley ID DD2024_022843