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1,2-Bis(4-cyanophenyl)-4-phenylbutane-1,4-dione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1,2-Bis(4-cyanophenyl)-4-phenylbutane-1,4-dione
SpectraBase Compound ID 6prYW1wMSPW
InChI InChI=1S/C24H16N2O2/c25-15-17-6-10-19(11-7-17)22(14-23(27)20-4-2-1-3-5-20)24(28)21-12-8-18(16-26)9-13-21/h1-13,22H,14H2
InChIKey GTVWXZBIOWWIIB-UHFFFAOYSA-N
Mol Weight 364.4 g/mol
Molecular Formula C24H16N2O2
Exact Mass 364.121178 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Do5sRpjdX3k
Name 1,2-bis(4-Cyanophenyl)-4-phenylbutane-1,4-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 364.121177761 u
Formula C24H16N2O2
InChI InChI=1S/C24H16N2O2/c25-15-17-6-10-19(11-7-17)22(14-23(27)20-4-2-1-3-5-20)24(28)21-12-8-18(16-26)9-13-21/h1-13,22H,14H2
InChIKey GTVWXZBIOWWIIB-UHFFFAOYSA-N
Molecular Weight 364.404 g/mol
SMILES C(C(CC(=O)C=1C=CC=CC1)C=1C=CC(=CC1)C#N)(=O)C=1C=CC(=CC1)C#N