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3-[[(3-phenyl-4(3H)-quinazolinone-2-yl)mercaptoacetyl]hydrazono]-1H-5-fluoro-2-indolinone
SpectraBase Compound ID D1LQpmEbyXd
InChI InChI=1S/C24H16FN5O3S/c25-14-10-11-19-17(12-14)21(22(32)26-19)29-28-20(31)13-34-24-27-18-9-5-4-8-16(18)23(33)30(24)15-6-2-1-3-7-15/h1-12H,13H2,(H,28,31)(H,26,29,32)
InChIKey PQECTGWQSOLOEI-UHFFFAOYSA-N
Mol Weight 473.48 g/mol
Molecular Formula C24H16FN5O3S
Exact Mass 473.095789 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5QYM2ZnNZMJ
Name 3-[[(3-phenyl-4(3H)-quinazolinone-2-yl)mercaptoacetyl]hydrazono]-1H-5-fluoro-2-indolinone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 473.095788729 u
Formula C24H16FN5O3S
InChI InChI=1S/C24H16FN5O3S/c25-14-10-11-19-17(12-14)21(22(32)26-19)29-28-20(31)13-34-24-27-18-9-5-4-8-16(18)23(33)30(24)15-6-2-1-3-7-15/h1-12H,13H2,(H,28,31)(H,26,29,32)
InChIKey PQECTGWQSOLOEI-UHFFFAOYSA-N
Molecular Weight 473.482 g/mol
SMILES C=1(N(C(C2=C(N1)C=CC=C2)=O)C=1C=CC=CC1)SCC(N\N=C/1C(NC2=C1C=C(C=C2)F)=O)=O