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

*Links on SpectraBase are not permalinks.
pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 5,8-dihydro-7-(4-methoxyphenyl)-1,3-dimethyl-5,5-bis(trifluoromethyl)-
SpectraBase Compound ID 9kYgNkZNQMq
InChI InChI=1S/C17H14F6N4O3/c1-26-12-10(13(28)27(2)14(26)29)15(16(18,19)20,17(21,22)23)25-11(24-12)8-4-6-9(30-3)7-5-8/h4-7H,1-3H3,(H,24,25)
InChIKey KPQHZFZMVUHVBO-UHFFFAOYSA-N
Mol Weight 436.31 g/mol
Molecular Formula C17H14F6N4O3
Exact Mass 436.097009 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 Kfg9prpLWMw
Name pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 5,8-dihydro-7-(4-methoxyphenyl)-1,3-dimethyl-5,5-bis(trifluoromethyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.097009302 u
Formula C17H14F6N4O3
InChI InChI=1S/C17H14F6N4O3/c1-26-12-10(13(28)27(2)14(26)29)15(16(18,19)20,17(21,22)23)25-11(24-12)8-4-6-9(30-3)7-5-8/h4-7H,1-3H3,(H,24,25)
InChIKey KPQHZFZMVUHVBO-UHFFFAOYSA-N
Molecular Weight 436.314 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13076
Solvent DMSO-d6
Source Vendor ID: NMR/10301061; Lab Info: AU; Lab Number: AU-Z000511