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1-[2-(3,4-diethoxyphenyl)ethyl]-7-(3-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-(3-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID 3jen7lzLLA8
InChI InChI=1S/C26H23F7N4O4/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 VXQACFXTRPVJHL-UHFFFAOYSA-N
Mol Weight 588.48 g/mol
Molecular Formula C26H23F7N4O4
Exact Mass 588.160752 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J2sH1HWeJG2
Name pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1-[2-(3,4-diethoxyphenyl)ethyl]-7-(3-fluorophenyl)-5,8-dihydro-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 588.160752374 u
Formula C26H23F7N4O4
InChI InChI=1S/C26H23F7N4O4/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 VXQACFXTRPVJHL-UHFFFAOYSA-N
Molecular Weight 588.483 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16334
Solvent DMSO-d6
Source Vendor ID: NMR/11250414; Lab Info: AU; Lab Number: AU-01040006