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

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1-[(E)-(4-dodecoxy-3-methoxy-phenyl)methylideneamino]urea
SpectraBase Compound ID 2MSC1wFZNSK
InChI InChI=1S/C21H35N3O3/c1-3-4-5-6-7-8-9-10-11-12-15-27-19-14-13-18(16-20(19)26-2)17-23-24-21(22)25/h13-14,16-17H,3-12,15H2,1-2H3,(H3,22,24,25)/b23-17+
InChIKey RMCBVLZTBPAGCA-HAVVHWLPSA-N
Mol Weight 377.5 g/mol
Molecular Formula C21H35N3O3
Exact Mass 377.267842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9EEw07SuGCe
Name 1-[(E)-(4-Dodecoxy-3-methoxy-phenyl)methylideneamino]urea
Comments Computed using HOSE algorithm
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Exact Mass 377.267841996 u
Formula C21H35N3O3
InChI InChI=1S/C21H35N3O3/c1-3-4-5-6-7-8-9-10-11-12-15-27-19-14-13-18(16-20(19)26-2)17-23-24-21(22)25/h13-14,16-17H,3-12,15H2,1-2H3,(H3,22,24,25)/b23-17+
InChIKey RMCBVLZTBPAGCA-HAVVHWLPSA-N
Molecular Weight 377.529 g/mol
SMILES C(N\N=C\C1=CC(OC)=C(C=C1)OCCCCCCCCCCCC)(=O)N