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3-Methyl-N-(pentan-3-yl)aniline
SpectraBase Compound ID wERfWRztib
InChI InChI=1S/C12H19N/c1-4-11(5-2)13-12-8-6-7-10(3)9-12/h6-9,11,13H,4-5H2,1-3H3
InChIKey IRKDDUZXXMWFQO-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 LjtDswKWOYn
Name 3-Methyl-N-(pentan-3-yl)aniline
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19N
InChI InChI=1S/C12H19N/c1-4-11(5-2)13-12-8-6-7-10(3)9-12/h6-9,11,13H,4-5H2,1-3H3
InChIKey IRKDDUZXXMWFQO-UHFFFAOYSA-N
Instrument Name Waters Q-TOF Premier
Ionization Type EI
Literature Reference DOI 10.1002/chem.201904502
Molecular Weight 177.291 g/mol
Reported Formula C12H19N
SMILES N(c1cccc(c1)C)C(CC)CC
SPLASH splash10-002g-9500000000-289d1d9b3879c639fb96
Source of Spectrum QE-26-SM4-3c
Thin-Layer Chromatography Rf = 0.39 (SiO2, PE/MTBE, 30:1)
Wiley ID 1858493