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4,6-Dimethoxy-7-(2,4-dinitrophenoxyiminomethyl)-3-(4-bromophenyl)-2-methylindole

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4,6-Dimethoxy-7-(2,4-dinitrophenoxyiminomethyl)-3-(4-bromophenyl)-2-methylindole
SpectraBase Compound ID 29t6le2Fh4v
InChI InChI=1S/C24H19BrN4O7/c1-13-22(14-4-6-15(25)7-5-14)23-21(35-3)11-20(34-2)17(24(23)27-13)12-26-36-19-9-8-16(28(30)31)10-18(19)29(32)33/h4-12,27H,1-3H3/b26-12+
InChIKey HOCFTUTWCXTARG-RPPGKUMJSA-N
Mol Weight 555.34 g/mol
Molecular Formula C24H19BrN4O7
Exact Mass 554.043712 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7aAMDlrc6vj
Name 4,6-Dimethoxy-7-(2,4-dinitrophenoxyiminomethyl)-3-(4-bromophenyl)-2-methylindole
Comments Computed using HOSE algorithm
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Exact Mass 554.043711961 u
Formula C24H19BrN4O7
InChI InChI=1S/C24H19BrN4O7/c1-13-22(14-4-6-15(25)7-5-14)23-21(35-3)11-20(34-2)17(24(23)27-13)12-26-36-19-9-8-16(28(30)31)10-18(19)29(32)33/h4-12,27H,1-3H3/b26-12+
InChIKey HOCFTUTWCXTARG-RPPGKUMJSA-N
Molecular Weight 555.341 g/mol
SMILES C12=C(NC(=C2C2=CC=C(C=C2)Br)C)C(\C=N\OC=2C(N(=O)=O)=CC(N(=O)=O)=CC2)=C(C=C1OC)OC