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3,5-Bis(4-fluorophenyl)-1,7-diphenyl-1,7-dihydrodipyrazolo[3,4-b:4',3'-e]pyrazine

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3,5-Bis(4-fluorophenyl)-1,7-diphenyl-1,7-dihydrodipyrazolo[3,4-b:4',3'-e]pyrazine
SpectraBase Compound ID K8Joe1TT3qu
InChI InChI=1S/C30H18F2N6/c31-21-15-11-19(12-16-21)25-27-29(37(35-25)23-7-3-1-4-8-23)34-30-28(33-27)26(20-13-17-22(32)18-14-20)36-38(30)24-9-5-2-6-10-24/h1-18H
InChIKey KZIFYDRSLGQBJC-UHFFFAOYSA-N
Mol Weight 500.51 g/mol
Molecular Formula C30H18F2N6
Exact Mass 500.156101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IFYnFw9O3GH
Name 3,5-bis(4-Fluorophenyl)-1,7-diphenyl-1,7-dihydrodipyrazolo[3,4-B:4',3'-E]pyrazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 500.156100930 u
Formula C30H18F2N6
InChI InChI=1S/C30H18F2N6/c31-21-15-11-19(12-16-21)25-27-29(37(35-25)23-7-3-1-4-8-23)34-30-28(33-27)26(20-13-17-22(32)18-14-20)36-38(30)24-9-5-2-6-10-24/h1-18H
InChIKey KZIFYDRSLGQBJC-UHFFFAOYSA-N
Molecular Weight 500.513 g/mol
SMILES C12=NC3=C(N=C1C(=NN2C=1C=CC=CC1)C=1C=CC(=CC1)F)C(=NN3C=1C=CC=CC1)C=1C=CC(=CC1)F