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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 MS (GC)

7-(3-Chlorophenyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID AwlcHuj6WZX
InChI InChI=1S/C26H23ClF6N4O4/c1-3-40-17-9-8-14(12-18(17)41-4-2)10-11-37-21-19(22(38)35-23(37)39)24(25(28,29)30,26(31,32)33)36-20(34-21)15-6-5-7-16(27)13-15/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,34,36)(H,35,38,39)
InChIKey HOWODFMNUSTFNW-UHFFFAOYSA-N
Mol Weight 604.94 g/mol
Molecular Formula C26H23ClF6N4O4
Exact Mass 604.131202 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 I68O6B3C2PB
Name 7-(3-Chlorophenyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23ClF6N4O4
InChI InChI=1S/C26H23ClF6N4O4/c1-3-40-17-9-8-14(12-18(17)41-4-2)10-11-37-21-19(22(38)35-23(37)39)24(25(28,29)30,26(31,32)33)36-20(34-21)15-6-5-7-16(27)13-15/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,34,36)(H,35,38,39)
InChIKey HOWODFMNUSTFNW-UHFFFAOYSA-N
Molecular Weight 604.937 g/mol
SMILES N1C(C=2C(N=C(NC2N(CCc2cc(OCC)c(cc2)OCC)C1=O)c1cc(Cl)ccc1)(C(F)(F)F)C(F)(F)F)=O
SPLASH splash10-0006-1900000000-b96fb1e54ce974968c02
Synonyms 7-(3-Chlorophenyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 7-(3-Chlorophenyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone
Wiley ID 1464998