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2'-Hydroxy-3',4,5'-trichlorochalcone, 2-methylpropionate

View entire compound with spectra: 1 NMR

2'-Hydroxy-3',4,5'-trichlorochalcone, 2-methylpropionate
SpectraBase Compound ID HkQnQnKMPLf
InChI InChI=1S/C19H15Cl3O3/c1-11(2)19(24)25-18-15(9-14(21)10-16(18)22)17(23)8-5-12-3-6-13(20)7-4-12/h3-11H,1-2H3/b8-5+
InChIKey NKECDFVWRGUJTG-VMPITWQZSA-N
Mol Weight 397.69 g/mol
Molecular Formula C19H15Cl3O3
Exact Mass 396.008677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BaESSBZlBgj
Name 2'-Hydroxy-3',4,5'-trichlorochalcone, 2-methylpropionate
Comments Computed using HOSE algorithm
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Exact Mass 396.008677440 u
Formula C19H15Cl3O3
InChI InChI=1S/C19H15Cl3O3/c1-11(2)19(24)25-18-15(9-14(21)10-16(18)22)17(23)8-5-12-3-6-13(20)7-4-12/h3-11H,1-2H3/b8-5+
InChIKey NKECDFVWRGUJTG-VMPITWQZSA-N
Molecular Weight 397.685 g/mol
SMILES C1(=CC(=CC(=C1OC(C(C)C)=O)Cl)Cl)C(\C=C\C1=CC=C(C=C1)Cl)=O