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2,4,6(1H,3H,5H)-pyrimidinetrione, 1-ethyl-5-[[1-[2-(2-fluorophenoxy)ethyl]-1H-indol-3-yl]methylene]-, (5E)-
SpectraBase Compound ID E9LXoWkYpCV
InChI InChI=1S/C23H20FN3O4/c1-2-27-22(29)17(21(28)25-23(27)30)13-15-14-26(19-9-5-3-7-16(15)19)11-12-31-20-10-6-4-8-18(20)24/h3-10,13-14H,2,11-12H2,1H3,(H,25,28,30)/b17-13+
InChIKey ZASWJSXUVCWTRB-GHRIWEEISA-N
Mol Weight 421.43 g/mol
Molecular Formula C23H20FN3O4
Exact Mass 421.143784 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ck9gpwLu6zz
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 1-ethyl-5-[[1-[2-(2-fluorophenoxy)ethyl]-1H-indol-3-yl]methylene]-, (5E)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.143784295 u
Formula C23H20FN3O4
InChI InChI=1S/C23H20FN3O4/c1-2-27-22(29)17(21(28)25-23(27)30)13-15-14-26(19-9-5-3-7-16(15)19)11-12-31-20-10-6-4-8-18(20)24/h3-10,13-14H,2,11-12H2,1H3,(H,25,28,30)/b17-13+
InChIKey ZASWJSXUVCWTRB-GHRIWEEISA-N
Molecular Weight 421.428 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13114
Solvent DMSO-d6
Source Vendor ID: NMR/10301119; Lab Info: LD; Lab Number: LD-K000160