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

*Links on SpectraBase are not permalinks.

1-[2-(2-methyl-1H-indol-3-yl)ethyl]-7-phenyl-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-(2-methyl-1H-indol-3-yl)ethyl]-7-phenyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID 1KolaMXrg3s
InChI InChI=1S/C25H19F6N5O2/c1-13-15(16-9-5-6-10-17(16)32-13)11-12-36-20-18(21(37)34-22(36)38)23(24(26,27)28,25(29,30)31)35-19(33-20)14-7-3-2-4-8-14/h2-10,32H,11-12H2,1H3,(H,33,35)(H,34,37,38)
InChIKey GAHGDYPMDKGQFY-UHFFFAOYSA-N
Mol Weight 535.45 g/mol
Molecular Formula C25H19F6N5O2
Exact Mass 535.144294 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 HEp7dlhKq27
Name pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 5,8-dihydro-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-7-phenyl-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 535.144293848 u
Formula C25H19F6N5O2
InChI InChI=1S/C25H19F6N5O2/c1-13-15(16-9-5-6-10-17(16)32-13)11-12-36-20-18(21(37)34-22(36)38)23(24(26,27)28,25(29,30)31)35-19(33-20)14-7-3-2-4-8-14/h2-10,32H,11-12H2,1H3,(H,33,35)(H,34,37,38)
InChIKey GAHGDYPMDKGQFY-UHFFFAOYSA-N
Molecular Weight 535.450 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18455
Solvent DMSO-d6
Source Vendor ID: NMR/11260886; Lab Info: AU; Lab Number: AU-1050008