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(2E,3E)-N-benzyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-imine oxide
SpectraBase Compound ID 3C29qPepYzj
InChI InChI=1S/C20H27NO/c1-16-9-8-14-20(3,4)19(16)13-12-17(2)21(22)15-18-10-6-5-7-11-18/h5-7,10-13H,8-9,14-15H2,1-4H3/b13-12+,21-17+
InChIKey BDMXFPAZWJXEFQ-SQWDPEPJSA-N
Mol Weight 297.44 g/mol
Molecular Formula C20H27NO
Exact Mass 297.209264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkEzmXqwseM
Name (2E,3E)-N-benzyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-imine oxide
Appearance Yellow oil
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Exact Mass 297.209264492 u
Formula C20H27NO
InChI InChI=1S/C20H27NO/c1-16-9-8-14-20(3,4)19(16)13-12-17(2)21(22)15-18-10-6-5-7-11-18/h5-7,10-13H,8-9,14-15H2,1-4H3/b13-12+,21-17+
InChIKey BDMXFPAZWJXEFQ-SQWDPEPJSA-N
Instrument Name Agilent 6890 N and MSD 5975
Ionization Type EI
Quality 191
SMILES C(\[N+](=C/(\C=C\C=1C(CCCC1C)(C)C)C)[O-])C1=CC=CC=C1
SPLASH splash10-0006-9120000000-2893b18481b30389c550
Sample Comments Mixture of isomers
Source of Spectrum WO2022263605A1
Wiley ID 1892781