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2,4-dimethoxybenzaldehyde ((2E)-4-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2(3H)-ylidene)hydrazone
SpectraBase Compound ID 4aSfZRRNTf6
InChI InChI=1S/C25H20F3N3O2S/c1-32-21-12-11-18(23(14-21)33-2)15-29-30-24-31(20-10-6-9-19(13-20)25(26,27)28)22(16-34-24)17-7-4-3-5-8-17/h3-16H,1-2H3/b29-15+,30-24+
InChIKey OHTJJCQHYDENHE-HWXGJFOFSA-N
Mol Weight 483.51 g/mol
Molecular Formula C25H20F3N3O2S
Exact Mass 483.122833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IR5ZfNs2BMq
Name 2,4-Dimethoxybenzaldehyde ((2E)-4-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2(3H)-ylidene)hydrazone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 483.122832557 u
Formula C25H20F3N3O2S
InChI InChI=1S/C25H20F3N3O2S/c1-32-21-12-11-18(23(14-21)33-2)15-29-30-24-31(20-10-6-9-19(13-20)25(26,27)28)22(16-34-24)17-7-4-3-5-8-17/h3-16H,1-2H3/b29-15+,30-24+
InChIKey OHTJJCQHYDENHE-HWXGJFOFSA-N
Molecular Weight 483.509 g/mol
SMILES C=1S\C(N(C1C=1C=CC=CC1)C1=CC(C(F)(F)F)=CC=C1)=N/N=C/C1=C(C=C(C=C1)OC)OC