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N-(1,3-benzoxazol-2-yl)-N''-[(E)-(4-methoxyphenyl)(oxo)methyl]guanidine
SpectraBase Compound ID 38MZDeJ83ym
InChI InChI=1S/C16H14N4O3/c1-22-11-8-6-10(7-9-11)14(21)19-15(17)20-16-18-12-4-2-3-5-13(12)23-16/h2-9H,1H3,(H3,17,18,19,20,21)
InChIKey NBHVHLPLQHSPON-UHFFFAOYSA-N
Mol Weight 310.31 g/mol
Molecular Formula C16H14N4O3
Exact Mass 310.10659 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LJhQ4kolstx
Name N-(1,3-Benzoxazol-2-yl)-N''-[(E)-(4-methoxyphenyl)(oxo)methyl]guanidine
Comments Computed using HOSE algorithm
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Exact Mass 310.106590324 u
Formula C16H14N4O3
InChI InChI=1S/C16H14N4O3/c1-22-11-8-6-10(7-9-11)14(21)19-15(17)20-16-18-12-4-2-3-5-13(12)23-16/h2-9H,1H3,(H3,17,18,19,20,21)
InChIKey NBHVHLPLQHSPON-UHFFFAOYSA-N
Molecular Weight 310.313 g/mol
SMILES N(\C(=N\C(C1=CC=C(C=C1)OC)=O)N)C1=NC=2C=CC=CC2O1