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3-(5-Chloro-2-hydroxyanilino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one
SpectraBase Compound ID HfKsKpGzZTw
InChI InChI=1S/C19H18ClNO3/c1-24-17-5-2-12(3-6-17)13-8-15(11-16(22)9-13)21-18-10-14(20)4-7-19(18)23/h2-7,10-11,13,21,23H,8-9H2,1H3
InChIKey PGOYVGRPVNBELQ-UHFFFAOYSA-N
Mol Weight 343.81 g/mol
Molecular Formula C19H18ClNO3
Exact Mass 343.097521 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G5wiWPZKQp7
Name 3-(5-Chloro-2-hydroxyanilino)-5-(4-methoxyphenyl)-2-cyclohexen-1-one
Comments Computed using HOSE algorithm
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Exact Mass 343.097521141 u
Formula C19H18ClNO3
InChI InChI=1S/C19H18ClNO3/c1-24-17-5-2-12(3-6-17)13-8-15(11-16(22)9-13)21-18-10-14(20)4-7-19(18)23/h2-7,10-11,13,21,23H,8-9H2,1H3
InChIKey PGOYVGRPVNBELQ-UHFFFAOYSA-N
Molecular Weight 343.810 g/mol
SMILES N(C=1C(=CC=C(C1)Cl)O)C1=CC(=O)CC(C1)C1=CC=C(C=C1)OC