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5-[(2,4-dichlorophenoxy)methyl]-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}-2-furohydrazide
SpectraBase Compound ID HoayooS5lhv
InChI InChI=1S/C20H13Cl2F3N2O3/c21-14-5-7-17(16(22)9-14)29-11-15-6-8-18(30-15)19(28)27-26-10-12-1-3-13(4-2-12)20(23,24)25/h1-10H,11H2,(H,27,28)/b26-10+
InChIKey JLFVCDBDXQLBDS-NSKAYECMSA-N
Mol Weight 457.24 g/mol
Molecular Formula C20H13Cl2F3N2O3
Exact Mass 456.025532 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HKqfkAkpKTd
Name 5-[(2,4-Dichlorophenoxy)methyl]-N'-{(E)-[4-(trifluoromethyl)phenyl]methylidene}-2-furohydrazide
Comments Computed using HOSE algorithm
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Exact Mass 456.025532173 u
Formula C20H13Cl2F3N2O3
InChI InChI=1S/C20H13Cl2F3N2O3/c21-14-5-7-17(16(22)9-14)29-11-15-6-8-18(30-15)19(28)27-26-10-12-1-3-13(4-2-12)20(23,24)25/h1-10H,11H2,(H,27,28)/b26-10+
InChIKey JLFVCDBDXQLBDS-NSKAYECMSA-N
Molecular Weight 457.236 g/mol
SMILES N(\N=C\C=1C=CC(C(F)(F)F)=CC1)C(C=1OC(COC=2C(=CC(=CC2)Cl)Cl)=CC1)=O