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

*Links on SpectraBase are not permalinks.

7-(4-chlorophenyl)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione

View entire compound with spectra: 1 NMR

7-(4-chlorophenyl)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID 3NvvlkEDiMf
InChI InChI=1S/C20H15ClF6N6O2/c1-9-11(7-32(2)31-9)8-33-15-13(16(34)29-17(33)35)18(19(22,23)24,20(25,26)27)30-14(28-15)10-3-5-12(21)6-4-10/h3-7H,8H2,1-2H3,(H,28,30)(H,29,34,35)
InChIKey AFEGXHJFGLSNJA-UHFFFAOYSA-N
Mol Weight 520.82 g/mol
Molecular Formula C20H15ClF6N6O2
Exact Mass 520.08492 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 JFx79MYQhbO
Name 7-(4-chlorophenyl)-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H15ClF6N6O2/c1-9-11(7-32(2)31-9)8-33-15-13(16(34)29-17(33)35)18(19(22,23)24,20(25,26)27)30-14(28-15)10-3-5-12(21)6-4-10/h3-7H,8H2,1-2H3,(H,28,30)(H,29,34,35)
InChIKey AFEGXHJFGLSNJA-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_5982
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: UZI/1264254; Labnumber: CCA0005; UZI_ID: UZI-005984
Temperature 308 °C