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(4-Nitrophenyl) 3-[4-[bis(4-methoxyphenyl)-oxidanyl-methyl]phenyl]propanoate
SpectraBase Compound ID 7jo0ODYLYb8
InChI InChI=1S/C30H27NO7/c1-36-26-14-8-23(9-15-26)30(33,24-10-16-27(37-2)17-11-24)22-6-3-21(4-7-22)5-20-29(32)38-28-18-12-25(13-19-28)31(34)35/h3-4,6-19,33H,5,20H2,1-2H3
InChIKey FPNDNRDSAFTNAB-UHFFFAOYSA-N
Mol Weight 513.55 g/mol
Molecular Formula C30H27NO7
Exact Mass 513.178752 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Qk4oMKLLTS
Name (4-Nitrophenyl) 3-[4-[bis(4-methoxyphenyl)-oxidanyl-methyl]phenyl]propanoate
Comments Computed using HOSE algorithm
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Exact Mass 513.178752206 u
Formula C30H27NO7
InChI InChI=1S/C30H27NO7/c1-36-26-14-8-23(9-15-26)30(33,24-10-16-27(37-2)17-11-24)22-6-3-21(4-7-22)5-20-29(32)38-28-18-12-25(13-19-28)31(34)35/h3-4,6-19,33H,5,20H2,1-2H3
InChIKey FPNDNRDSAFTNAB-UHFFFAOYSA-N
Molecular Weight 513.546 g/mol
SMILES C1(N(=O)=O)=CC=C(OC(=O)CCC2=CC=C(C(C=3C=CC(=CC3)OC)(C=3C=CC(=CC3)OC)O)C=C2)C=C1