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N-{4-[(E)-2-phenyldiazenyl]phenyl}-9H-xanthene-9-carboxamide
SpectraBase Compound ID B1siQY6lBeK
InChI InChI=1S/C26H19N3O2/c30-26(25-21-10-4-6-12-23(21)31-24-13-7-5-11-22(24)25)27-18-14-16-20(17-15-18)29-28-19-8-2-1-3-9-19/h1-17,25H,(H,27,30)/b29-28+
InChIKey REBIUGDNJNRIIZ-ZQHSETAFSA-N
Mol Weight 405.46 g/mol
Molecular Formula C26H19N3O2
Exact Mass 405.147727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BVX0pjPRHjE
Name N-{4-[(E)-2-Phenyldiazenyl]phenyl}-9H-xanthene-9-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 405.147726862 u
Formula C26H19N3O2
InChI InChI=1S/C26H19N3O2/c30-26(25-21-10-4-6-12-23(21)31-24-13-7-5-11-22(24)25)27-18-14-16-20(17-15-18)29-28-19-8-2-1-3-9-19/h1-17,25H,(H,27,30)/b29-28+
InChIKey REBIUGDNJNRIIZ-ZQHSETAFSA-N
Molecular Weight 405.457 g/mol
SMILES N(C(C1C2=C(C=CC=C2)OC2=C1C=CC=C2)=O)C1=CC=C(\N=N\C2=CC=CC=C2)C=C1