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5-(4-bromobenzylidene)-2-(3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)thiazol-4(5H)-one

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5-(4-bromobenzylidene)-2-(3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)thiazol-4(5H)-one
SpectraBase Compound ID 3drzculPBvW
InChI InChI=1S/C23H15Br2N3O2S/c24-16-7-3-14(4-8-16)12-21-22(29)26-23(31-21)28-19(20-2-1-11-30-20)13-18(27-28)15-5-9-17(25)10-6-15/h1-12,19H,13H2/b21-12+
InChIKey MRNJLAGUJBEEEJ-CIAFOILYSA-N
Mol Weight 557.26 g/mol
Molecular Formula C23H15Br2N3O2S
Exact Mass 554.925174 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5fizNbuOmao
Name 5-(4-Bromobenzylidene)-2-(3-(4-bromophenyl)-5-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)thiazol-4(5H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 554.925173907 u
Formula C23H15Br2N3O2S
InChI InChI=1S/C23H15Br2N3O2S/c24-16-7-3-14(4-8-16)12-21-22(29)26-23(31-21)28-19(20-2-1-11-30-20)13-18(27-28)15-5-9-17(25)10-6-15/h1-12,19H,13H2/b21-12+
InChIKey MRNJLAGUJBEEEJ-CIAFOILYSA-N
Molecular Weight 557.260 g/mol
SMILES C1(\C(SC(=N1)N1C(CC(=N1)C1=CC=C(C=C1)Br)C=1OC=CC1)=C/C1=CC=C(C=C1)Br)=O