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2-chloro-5-(5-{(E)-2-[2-oxo-6-(trifluoromethyl)-1,2-dihydro-4-pyrimidinyl]ethenyl}-2-furyl)benzoic acid
SpectraBase Compound ID mzzl2IaG1u
InChI InChI=1S/C18H10ClF3N2O4/c19-13-5-1-9(7-12(13)16(25)26)14-6-4-11(28-14)3-2-10-8-15(18(20,21)22)24-17(27)23-10/h1-8H,(H,25,26)(H,23,24,27)/b3-2+
InChIKey CTDXDBQSPXNRML-NSCUHMNNSA-N
Mol Weight 410.74 g/mol
Molecular Formula C18H10ClF3N2O4
Exact Mass 410.028119 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GYlq130peGH
Name 2-chloro-5-(5-{(E)-2-[2-oxo-6-(trifluoromethyl)-1,2-dihydro-4-pyrimidinyl]ethenyl}-2-furyl)benzoic acid
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/C18H10ClF3N2O4/c19-13-5-1-9(7-12(13)16(25)26)14-6-4-11(28-14)3-2-10-8-15(18(20,21)22)24-17(27)23-10/h1-8H,(H,25,26)(H,23,24,27)/b3-2+
InChIKey CTDXDBQSPXNRML-NSCUHMNNSA-N
NMR Offset 16.1752
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_ASIOH_7529_451
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: ZI/8121707; Labnumber: SAD-1500170
Temperature 313 °C