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Methyl (E)-2-(N-benzhydrylideneamino)oct-4-enoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Methyl (E)-2-(N-benzhydrylideneamino)oct-4-enoate
SpectraBase Compound ID E1dIYyl9De3
InChI InChI=1S/C22H25NO2/c1-3-4-5-12-17-20(22(24)25-2)23-21(18-13-8-6-9-14-18)19-15-10-7-11-16-19/h5-16,20H,3-4,17H2,1-2H3/b12-5+
InChIKey NRWRFWXHCCGMLU-LFYBBSHMSA-N
Mol Weight 335.45 g/mol
Molecular Formula C22H25NO2
Exact Mass 335.188529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ms0W5bGoCa
Name Methyl (E)-2-(N-benzhydrylideneamino)oct-4-enoate
Comments Computed using HOSE algorithm
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Exact Mass 335.188529047 u
Formula C22H25NO2
InChI InChI=1S/C22H25NO2/c1-3-4-5-12-17-20(22(24)25-2)23-21(18-13-8-6-9-14-18)19-15-10-7-11-16-19/h5-16,20H,3-4,17H2,1-2H3/b12-5+
InChIKey NRWRFWXHCCGMLU-LFYBBSHMSA-N
Molecular Weight 335.447 g/mol
SMILES C(=NC(C(=O)OC)C\C=C\CCC)(C1=CC=CC=C1)C=1C=CC=CC1