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1-[(E)-(4-hexadecoxy-3-methoxy-phenyl)methylideneamino]urea
SpectraBase Compound ID LFdrESTxrKJ
InChI InChI=1S/C25H43N3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-31-23-18-17-22(20-24(23)30-2)21-27-28-25(26)29/h17-18,20-21H,3-16,19H2,1-2H3,(H3,26,28,29)/b27-21+
InChIKey JXZKXEYKDSTQPG-SZXQPVLSSA-N
Mol Weight 433.6 g/mol
Molecular Formula C25H43N3O3
Exact Mass 433.330442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8RsQt84T3Ls
Name 1-[(E)-(4-Hexadecoxy-3-methoxy-phenyl)methylideneamino]urea
Comments Computed using HOSE algorithm
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Exact Mass 433.330442254 u
Formula C25H43N3O3
InChI InChI=1S/C25H43N3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-31-23-18-17-22(20-24(23)30-2)21-27-28-25(26)29/h17-18,20-21H,3-16,19H2,1-2H3,(H3,26,28,29)/b27-21+
InChIKey JXZKXEYKDSTQPG-SZXQPVLSSA-N
Molecular Weight 433.637 g/mol
SMILES C(N\N=C\C=1C=C(OC)C(=CC1)OCCCCCCCCCCCCCCCC)(=O)N