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6-(4-Methoxy-m-tolyl)-6-methyl-2-heptanone, (2,4-dinitrophenyl)hydrazone
SpectraBase Compound ID JBLcZZapoe5
InChI InChI=1S/C22H28N4O5/c1-15-13-17(8-11-21(15)31-5)22(3,4)12-6-7-16(2)23-24-19-10-9-18(25(27)28)14-20(19)26(29)30/h8-11,13-14,24H,6-7,12H2,1-5H3/b23-16+
InChIKey YOKYYGFJTRRWIA-XQNSMLJCSA-N
Mol Weight 428.49 g/mol
Molecular Formula C22H28N4O5
Exact Mass 428.20597 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7pm1PuVJHeV
Name 6-(4-Methoxy-m-tolyl)-6-methyl-2-heptanone, (2,4-dinitrophenyl)hydrazone
Comments Computed using HOSE algorithm
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Exact Mass 428.205970013 u
Formula C22H28N4O5
InChI InChI=1S/C22H28N4O5/c1-15-13-17(8-11-21(15)31-5)22(3,4)12-6-7-16(2)23-24-19-10-9-18(25(27)28)14-20(19)26(29)30/h8-11,13-14,24H,6-7,12H2,1-5H3/b23-16+
InChIKey YOKYYGFJTRRWIA-XQNSMLJCSA-N
Molecular Weight 428.489 g/mol
SMILES N(\N=C\(CCCC(C=1C=C(C(=CC1)OC)C)(C)C)C)C=1C=CC(=CC1N(=O)=O)N(=O)=O