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1-[2-(3,4-diethoxyphenyl)ethyl]-7-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione

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

1-[2-(3,4-diethoxyphenyl)ethyl]-7-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID H1deOkdT0tC
InChI InChI=1S/C26H23F7N4O4/c1-3-40-17-10-9-14(13-18(17)41-4-2)11-12-37-21-19(22(38)35-23(37)39)24(25(28,29)30,26(31,32)33)36-20(34-21)15-7-5-6-8-16(15)27/h5-10,13H,3-4,11-12H2,1-2H3,(H,34,36)(H,35,38,39)
InChIKey KZGBWYYOTPSWKC-UHFFFAOYSA-N
Mol Weight 588.48 g/mol
Molecular Formula C26H23F7N4O4
Exact Mass 588.160752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FD8MMiwiBkx
Name 1-[2-(3,4-diethoxyphenyl)ethyl]-7-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Alternate Name(s) 1-[2-(3,4-diethoxyphenyl)ethyl]-7-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 1-[2-(3,4-diethoxyphenyl)ethyl]-7-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23F7N4O4
InChI InChI=1S/C26H23F7N4O4/c1-3-40-17-10-9-14(13-18(17)41-4-2)11-12-37-21-19(22(38)35-23(37)39)24(25(28,29)30,26(31,32)33)36-20(34-21)15-7-5-6-8-16(15)27/h5-10,13H,3-4,11-12H2,1-2H3,(H,34,36)(H,35,38,39)
InChIKey KZGBWYYOTPSWKC-UHFFFAOYSA-N
Molecular Weight 588.483 g/mol
SMILES N1C(C=2C(N=C(NC2N(CCc2cc(OCC)c(cc2)OCC)C1=O)c1c(F)cccc1)(C(F)(F)F)C(F)(F)F)=O
SPLASH splash10-0006-0900000000-51b1b00263969bd2474f
Wiley ID 1464525