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(5Z)-5-({1-[3-(2,4-dimethylphenoxy)propyl]-1H-indol-3-yl}methylene)-1-(4-fluorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID EsW5jNGxpDv
InChI InChI=1S/C30H26FN3O4/c1-19-8-13-27(20(2)16-19)38-15-5-14-33-18-21(24-6-3-4-7-26(24)33)17-25-28(35)32-30(37)34(29(25)36)23-11-9-22(31)10-12-23/h3-4,6-13,16-18H,5,14-15H2,1-2H3,(H,32,35,37)/b25-17-
InChIKey ABAAFPDKVBWUBT-UQQQWYQISA-N
Mol Weight 511.55 g/mol
Molecular Formula C30H26FN3O4
Exact Mass 511.190734 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G6Kh4jo4UHr
Name (5Z)-5-({1-[3-(2,4-dimethylphenoxy)propyl]-1H-indol-3-yl}methylene)-1-(4-fluorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C30H26FN3O4/c1-19-8-13-27(20(2)16-19)38-15-5-14-33-18-21(24-6-3-4-7-26(24)33)17-25-28(35)32-30(37)34(29(25)36)23-11-9-22(31)10-12-23/h3-4,6-13,16-18H,5,14-15H2,1-2H3,(H,32,35,37)/b25-17-
InChIKey ABAAFPDKVBWUBT-UQQQWYQISA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_19809
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D14611; Labnumber: CEP2K-28063; SBI_ID: SBI-019813
Synonyms 5-({1-[3-(2,4-dimethylphenoxy)propyl]-1H-indol-3-yl}methylene)-1-(4-fluorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature 318 °C