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(1Z)-1-(3,4-dimethoxyphenyl)ethanone [4-(4-chlorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]hydrazone
SpectraBase Compound ID 4Md3BTYE6MM
InChI InChI=1S/C21H18ClF3N4O2/c1-12(14-6-9-17(30-2)18(10-14)31-3)28-29-20-26-16(11-19(27-20)21(23,24)25)13-4-7-15(22)8-5-13/h4-11H,1-3H3,(H,26,27,29)/b28-12-
InChIKey SRVFSZDFOMUFHD-NVJOKUIPSA-N
Mol Weight 450.85 g/mol
Molecular Formula C21H18ClF3N4O2
Exact Mass 450.107038 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EKCEJXZVU97
Name (1Z)-1-(3,4-Dimethoxyphenyl)ethanone [4-(4-chlorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]hydrazone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.107038023 u
Formula C21H18ClF3N4O2
InChI InChI=1S/C21H18ClF3N4O2/c1-12(14-6-9-17(30-2)18(10-14)31-3)28-29-20-26-16(11-19(27-20)21(23,24)25)13-4-7-15(22)8-5-13/h4-11H,1-3H3,(H,26,27,29)/b28-12-
InChIKey SRVFSZDFOMUFHD-NVJOKUIPSA-N
Molecular Weight 450.849 g/mol
SMILES N(\N=C/(C=1C=C(OC)C(=CC1)OC)C)C1=NC(C(F)(F)F)=CC(=N1)C1=CC=C(C=C1)Cl