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3-furancarbonitrile, 2-[[(E)-(5-bromo-2-hydroxyphenyl)methylidene]amino]-4,5-diphenyl-
SpectraBase Compound ID H3mTrtEVJuK
InChI InChI=1S/C24H15BrN2O2/c25-19-11-12-21(28)18(13-19)15-27-24-20(14-26)22(16-7-3-1-4-8-16)23(29-24)17-9-5-2-6-10-17/h1-13,15,28H/b27-15+
InChIKey DGXDMOMSKOTVMF-JFLMPSFJSA-N
Mol Weight 443.3 g/mol
Molecular Formula C24H15BrN2O2
Exact Mass 442.031691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3fpPqKL3a8E
Name 3-Furancarbonitrile, 2-[[(E)-(5-bromo-2-hydroxyphenyl)methylidene]amino]-4,5-diphenyl-
Comments Computed using HOSE algorithm
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Exact Mass 442.031690729 u
Formula C24H15BrN2O2
InChI InChI=1S/C24H15BrN2O2/c25-19-11-12-21(28)18(13-19)15-27-24-20(14-26)22(16-7-3-1-4-8-16)23(29-24)17-9-5-2-6-10-17/h1-13,15,28H/b27-15+
InChIKey DGXDMOMSKOTVMF-JFLMPSFJSA-N
Molecular Weight 443.300 g/mol
SMILES OC1=C(\C=N\C2=C(C(=C(C=3C=CC=CC3)O2)C2=CC=CC=C2)C#N)C=C(C=C1)Br