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2-[(5-Chloro-2-hydroxyanilino)methylene]-5-(4-methoxyphenyl)-1,3-cyclohexanedione
SpectraBase Compound ID 5oC9m8I3teB
InChI InChI=1S/C20H18ClNO4/c1-26-15-5-2-12(3-6-15)13-8-19(24)16(20(25)9-13)11-22-17-10-14(21)4-7-18(17)23/h2-7,10-11,13,22-23H,8-9H2,1H3/b16-11-
InChIKey USEAYOSTFAMUFU-WJDWOHSUSA-N
Mol Weight 371.82 g/mol
Molecular Formula C20H18ClNO4
Exact Mass 371.092436 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8CSfb0JwKD9
Name 2-[(5-Chloro-2-hydroxyanilino)methylene]-5-(4-methoxyphenyl)-1,3-cyclohexanedione
Comments Computed using HOSE algorithm
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Exact Mass 371.092435760 u
Formula C20H18ClNO4
InChI InChI=1S/C20H18ClNO4/c1-26-15-5-2-12(3-6-15)13-8-19(24)16(20(25)9-13)11-22-17-10-14(21)4-7-18(17)23/h2-7,10-11,13,22-23H,8-9H2,1H3/b16-11-
InChIKey USEAYOSTFAMUFU-WJDWOHSUSA-N
Molecular Weight 371.820 g/mol
SMILES N(C=C1C(CC(CC1=O)C1=CC=C(C=C1)OC)=O)C1=C(C=CC(=C1)Cl)O