For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

1-(4-Chlorophenyl)-7-(2-furanyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione

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

1-(4-Chlorophenyl)-7-(2-furanyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
SpectraBase Compound ID JUhVqk7PRZP
InChI InChI=1S/C18H9ClF6N4O3/c19-8-3-5-9(6-4-8)29-13-11(14(30)27-15(29)31)16(17(20,21)22,18(23,24)25)28-12(26-13)10-2-1-7-32-10/h1-7H,(H,26,28)(H,27,30,31)
InChIKey DRGKBEVXTTWQGT-UHFFFAOYSA-N
Mol Weight 478.74 g/mol
Molecular Formula C18H9ClF6N4O3
Exact Mass 478.026737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 32JCD9GRgVV
Name 1-(4-Chlorophenyl)-7-(2-furanyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H9ClF6N4O3
InChI InChI=1S/C18H9ClF6N4O3/c19-8-3-5-9(6-4-8)29-13-11(14(30)27-15(29)31)16(17(20,21)22,18(23,24)25)28-12(26-13)10-2-1-7-32-10/h1-7H,(H,26,28)(H,27,30,31)
InChIKey DRGKBEVXTTWQGT-UHFFFAOYSA-N
Molecular Weight 478.738 g/mol
SMILES N1C(N(C2=C(C1=O)C(N=C(N2)c1occc1)(C(F)(F)F)C(F)(F)F)c1ccc(cc1)Cl)=O
SPLASH splash10-000i-2900000000-9f5462877d0d2060fa55
Synonyms 1-(4-Chlorophenyl)-7-(2-furyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 1-(4-Chlorophenyl)-7-(2-furyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone 1-(4-Chlorophenyl)-7-(furan-2-yl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Wiley ID 1443120