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N-(6-(2,6-Dimethylphenyl)-2-methylhexan-3-yl)aniline
SpectraBase Compound ID DN4qFTObwlA
InChI InChI=1S/C21H29N/c1-16(2)21(22-19-12-6-5-7-13-19)15-9-14-20-17(3)10-8-11-18(20)4/h5-8,10-13,16,21-22H,9,14-15H2,1-4H3
InChIKey WIIQYBMNEKJCQD-UHFFFAOYSA-N
Mol Weight 295.47 g/mol
Molecular Formula C21H29N
Exact Mass 295.23 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5q9QdfqpWJv
Name N-(6-(2,6-Dimethylphenyl)-2-methylhexan-3-yl)aniline
Appearance Slightly yellow oil
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Formula C21H29N
InChI InChI=1S/C21H29N/c1-16(2)21(22-19-12-6-5-7-13-19)15-9-14-20-17(3)10-8-11-18(20)4/h5-8,10-13,16,21-22H,9,14-15H2,1-4H3
InChIKey WIIQYBMNEKJCQD-UHFFFAOYSA-N
Instrument Name Thermo Scientific DFS or Shimadzu GSMS-QP2020
Ionization Type EI
Literature Reference DOI 10.1002/chem.202003223
Molecular Weight 295.470 g/mol
Reported Formula C21H30N
SMILES N(c1ccccc1)C(C(C)C)CCCc1c(cccc1C)C
SPLASH splash10-0udi-2690000000-a7c51408f69c5de243fa
Source of Spectrum QE-26-SM34-28b
Thin-Layer Chromatography Rf = 0.33 (SiO2, PE/EtOAc, 50:1)
Wiley ID 1841164