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N-[(E)-[4-(2-chloranyl-5-fluoranyl-pyrimidin-4-yl)oxy-3-methoxy-phenyl]methylideneamino]-3-(dimethylamino)benzamide
SpectraBase Compound ID KAtj1wyMs9I
InChI InChI=1S/C21H19ClFN5O3/c1-28(2)15-6-4-5-14(10-15)19(29)27-25-11-13-7-8-17(18(9-13)30-3)31-20-16(23)12-24-21(22)26-20/h4-12H,1-3H3,(H,27,29)/b25-11+
InChIKey DLIPCFCELZWEFS-OPEKNORGSA-N
Mol Weight 443.87 g/mol
Molecular Formula C21H19ClFN5O3
Exact Mass 443.116045 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Esavc7MP2jm
Name N'-((E)-{4-[(2-chloro-5-fluoro-4-pyrimidinyl)oxy]-3-methoxyphenyl}methylidene)-3-(dimethylamino)benzohydrazide
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/C21H19ClFN5O3/c1-28(2)15-6-4-5-14(10-15)19(29)27-25-11-13-7-8-17(18(9-13)30-3)31-20-16(23)12-24-21(22)26-20/h4-12H,1-3H3,(H,27,29)/b25-11+
InChIKey DLIPCFCELZWEFS-OPEKNORGSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_10638
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: 135272; Labnumber: PFC-211874; VK_ID: VK-010642
Synonyms N'-({4-[(2-chloro-5-fluoro-4-pyrimidinyl)oxy]-3-methoxyphenyl}methylidene)-3-(dimethylamino)benzohydrazide
Temperature 318 °C