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N-Phenylbenzimidic acid, diester with 4,4'-sulfonyldiphenol

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N-Phenylbenzimidic acid, diester with 4,4'-sulfonyldiphenol
SpectraBase Compound ID FiXe7bjInXY
InChI InChI=1S/C38H28N2O4S/c41-45(42,35-25-21-33(22-26-35)43-37(29-13-5-1-6-14-29)39-31-17-9-3-10-18-31)36-27-23-34(24-28-36)44-38(30-15-7-2-8-16-30)40-32-19-11-4-12-20-32/h1-28H/b39-37+,40-38+
InChIKey WQOIJDGWXHUFNF-HVMBLDELSA-N
Mol Weight 608.7 g/mol
Molecular Formula C38H28N2O4S
Exact Mass 608.176979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID lVF53Ey2Ed
Name N-Phenylbenzimidic acid, diester with 4,4'-sulfonyldiphenol
Comments Computed using HOSE algorithm
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Exact Mass 608.176978560 u
Formula C38H28N2O4S
InChI InChI=1S/C38H28N2O4S/c41-45(42,35-25-21-33(22-26-35)43-37(29-13-5-1-6-14-29)39-31-17-9-3-10-18-31)36-27-23-34(24-28-36)44-38(30-15-7-2-8-16-30)40-32-19-11-4-12-20-32/h1-28H/b39-37+,40-38+
InChIKey WQOIJDGWXHUFNF-HVMBLDELSA-N
Molecular Weight 608.712 g/mol
SMILES C=1C=CC=C(C1)\C(OC=1C=CC(=CC1)S(C=1C=CC(=CC1)O\C(C=1C=CC=CC1)=N/C1=CC=CC=C1)(=O)=O)=N/C1=CC=CC=C1