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1,3-bis(2-fluorobenzyl)-2,4(1H,3H)-quinazolinedione

View entire compound with spectra: 2 NMR

1,3-bis(2-fluorobenzyl)-2,4(1H,3H)-quinazolinedione
SpectraBase Compound ID J0gDBGHoUgi
InChI InChI=1S/C22H16F2N2O2/c23-18-10-4-1-7-15(18)13-25-20-12-6-3-9-17(20)21(27)26(22(25)28)14-16-8-2-5-11-19(16)24/h1-12H,13-14H2
InChIKey ZYWILBZFJVFYMR-UHFFFAOYSA-N
Mol Weight 378.38 g/mol
Molecular Formula C22H16F2N2O2
Exact Mass 378.117984 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 18ZbMcIZ6TH
Name 1,3-bis(2-Fluorobenzyl)-2,4(1H,3H)-quinazolinedione
Comments Computed using HOSE algorithm
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Exact Mass 378.117984087 u
Formula C22H16F2N2O2
InChI InChI=1S/C22H16F2N2O2/c23-18-10-4-1-7-15(18)13-25-20-12-6-3-9-17(20)21(27)26(22(25)28)14-16-8-2-5-11-19(16)24/h1-12H,13-14H2
InChIKey ZYWILBZFJVFYMR-UHFFFAOYSA-N
Molecular Weight 378.379 g/mol
SMILES C1=CC=C(CN2C(N(CC3=C(F)C=CC=C3)C=3C(C2=O)=CC=CC3)=O)C(F)=C1