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4-[(2'',7''-Dioxobenzo[3,4-A]pyrrolidin-1''-yl)methyoxy]-2,4'-dimethylazobenzene
SpectraBase Compound ID 9nJCbsKbWeA
InChI InChI=1S/C23H19N3O3/c1-15-7-9-17(10-8-15)24-25-18-11-12-21(16(2)13-18)29-14-26-22(27)19-5-3-4-6-20(19)23(26)28/h3-13H,14H2,1-2H3/b25-24+
InChIKey IETJCPOKEOHAFJ-OCOZRVBESA-N
Mol Weight 385.42 g/mol
Molecular Formula C23H19N3O3
Exact Mass 385.142641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7hCtT28rTTc
Name 4-[(2'',7''-Dioxobenzo[3,4-A]pyrrolidin-1''-yl)methyoxy]-2,4'-dimethylazobenzene
Comments Computed using HOSE algorithm
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Exact Mass 385.142641481 u
Formula C23H19N3O3
InChI InChI=1S/C23H19N3O3/c1-15-7-9-17(10-8-15)24-25-18-11-12-21(16(2)13-18)29-14-26-22(27)19-5-3-4-6-20(19)23(26)28/h3-13H,14H2,1-2H3/b25-24+
InChIKey IETJCPOKEOHAFJ-OCOZRVBESA-N
Molecular Weight 385.423 g/mol
SMILES C1(N(C(C2=CC=CC=C12)=O)COC1=C(C=C(\N=N\C2=CC=C(C=C2)C)C=C1)C)=O