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3-(4-bromophenyl)-N,5-bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

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3-(4-bromophenyl)-N,5-bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
SpectraBase Compound ID 8wryRokQFk4
InChI InChI=1S/C22H16BrF2N3S/c23-16-5-1-14(2-6-16)20-13-21(15-3-7-17(24)8-4-15)28(27-20)22(29)26-19-11-9-18(25)10-12-19/h1-12,21H,13H2,(H,26,29)
InChIKey TVKFXIAPJNQMPV-UHFFFAOYSA-N
Mol Weight 472.35 g/mol
Molecular Formula C22H16BrF2N3S
Exact Mass 471.021638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4gI2OAINtPO
Name 3-(4-Bromophenyl)-N,5-bis(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 471.021638027 u
Formula C22H16BrF2N3S
InChI InChI=1S/C22H16BrF2N3S/c23-16-5-1-14(2-6-16)20-13-21(15-3-7-17(24)8-4-15)28(27-20)22(29)26-19-11-9-18(25)10-12-19/h1-12,21H,13H2,(H,26,29)
InChIKey TVKFXIAPJNQMPV-UHFFFAOYSA-N
Molecular Weight 472.352 g/mol
SMILES N(C(N1N=C(C2=CC=C(C=C2)Br)CC1C1=CC=C(C=C1)F)=S)C=1C=CC(=CC1)F