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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID CPAJ1IBlx77
Name 1-(4-chlorophenyl)-7-(2-furyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
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
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5631
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D23465; Labnumber: SOK-1296; SBI_ID: SBI-005633
Temperature 318 °C