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(E)-3-(4-isobutyl-2-methylphenyl)-N-(2-methylundecyl)propan-1-imine oxide
SpectraBase Compound ID 5RjXUxgxmz2
InChI InChI=1S/C26H45NO/c1-6-7-8-9-10-11-12-14-23(4)21-27(28)18-13-15-26-17-16-25(19-22(2)3)20-24(26)5/h16-18,20,22-23H,6-15,19,21H2,1-5H3/b27-18+
InChIKey CWDUHGGNSJOFOA-OVVQPSECSA-N
Mol Weight 387.7 g/mol
Molecular Formula C26H45NO
Exact Mass 387.350115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BAemW6e9hb
Name (E)-3-(4-isobutyl-2-methylphenyl)-N-(2-methylundecyl)propan-1-imine oxide
Appearance White solid
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Exact Mass 387.350115072 u
Formula C26H45NO
InChI InChI=1S/C26H45NO/c1-6-7-8-9-10-11-12-14-23(4)21-27(28)18-13-15-26-17-16-25(19-22(2)3)20-24(26)5/h16-18,20,22-23H,6-15,19,21H2,1-5H3/b27-18+
InChIKey CWDUHGGNSJOFOA-OVVQPSECSA-N
Instrument Name Agilent 6890 N and MSD 5975
Ionization Type EI
Molecular Weight 387.652 g/mol
Quality 78
SMILES C(C1=C(C=C(C=C1)CC(C)C)C)C\C=[N+]/([O-])CC(CCCCCCCCC)C
SPLASH splash10-03di-0900000000-8b4cc73f0fb12d6bdcec
Source of Spectrum WO2022263605A1
Wiley ID 1892763