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5-benzoxazolamine, 2-(2-methylphenyl)-N-[(E)-[4-(phenylmethoxy)phenyl]methylidene]-
SpectraBase Compound ID IHupOVIAhHF
InChI InChI=1S/C28H22N2O2/c1-20-7-5-6-10-25(20)28-30-26-17-23(13-16-27(26)32-28)29-18-21-11-14-24(15-12-21)31-19-22-8-3-2-4-9-22/h2-18H,19H2,1H3/b29-18+
InChIKey YJSOIHLKADGOKS-RDRPBHBLSA-N
Mol Weight 418.5 g/mol
Molecular Formula C28H22N2O2
Exact Mass 418.168128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HN8BCZu8Ts5
Name 5-Benzoxazolamine, 2-(2-methylphenyl)-N-[(E)-[4-(phenylmethoxy)phenyl]methylidene]-
Comments Computed using HOSE algorithm
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Exact Mass 418.168127954 u
Formula C28H22N2O2
InChI InChI=1S/C28H22N2O2/c1-20-7-5-6-10-25(20)28-30-26-17-23(13-16-27(26)32-28)29-18-21-11-14-24(15-12-21)31-19-22-8-3-2-4-9-22/h2-18H,19H2,1H3/b29-18+
InChIKey YJSOIHLKADGOKS-RDRPBHBLSA-N
Molecular Weight 418.496 g/mol
SMILES C1(=NC=2C=C(\N=C\C3=CC=C(OCC=4C=CC=CC4)C=C3)C=CC2O1)C1=C(C)C=CC=C1