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1-[(E)-(3-methoxy-4-octoxy-phenyl)methylideneamino]urea

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

1-[(E)-(3-methoxy-4-octoxy-phenyl)methylideneamino]urea
SpectraBase Compound ID 2y7whr1ezkm
InChI InChI=1S/C17H27N3O3/c1-3-4-5-6-7-8-11-23-15-10-9-14(12-16(15)22-2)13-19-20-17(18)21/h9-10,12-13H,3-8,11H2,1-2H3,(H3,18,20,21)/b19-13+
InChIKey IZJIFTOTLRXKTP-CPNJWEJPSA-N
Mol Weight 321.42 g/mol
Molecular Formula C17H27N3O3
Exact Mass 321.205242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8OfitXEvJZq
Name 1-[(E)-(3-Methoxy-4-octoxy-phenyl)methylideneamino]urea
Comments Computed using HOSE algorithm
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Exact Mass 321.205241738 u
Formula C17H27N3O3
InChI InChI=1S/C17H27N3O3/c1-3-4-5-6-7-8-11-23-15-10-9-14(12-16(15)22-2)13-19-20-17(18)21/h9-10,12-13H,3-8,11H2,1-2H3,(H3,18,20,21)/b19-13+
InChIKey IZJIFTOTLRXKTP-CPNJWEJPSA-N
Molecular Weight 321.421 g/mol
SMILES C(N\N=C\C=1C=C(OC)C(=CC1)OCCCCCCCC)(=O)N