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benzoic acid, 2-chloro-4,5-difluoro-, 4-[(E)-2-cyano-2-(5-methyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxyphenyl ester
SpectraBase Compound ID 5AiflpuXpGy
InChI InChI=1S/C25H16ClF2N3O3/c1-13-3-5-20-21(7-13)31-24(30-20)15(12-29)8-14-4-6-22(23(9-14)33-2)34-25(32)16-10-18(27)19(28)11-17(16)26/h3-11H,1-2H3,(H,30,31)/b15-8+
InChIKey KQTAVPOXBGRIOJ-OVCLIPMQSA-N
Mol Weight 479.87 g/mol
Molecular Formula C25H16ClF2N3O3
Exact Mass 479.084825 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BKji1ksEsN0
Name benzoic acid, 2-chloro-4,5-difluoro-, 4-[(E)-2-cyano-2-(5-methyl-1H-benzimidazol-2-yl)ethenyl]-2-methoxyphenyl ester
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/C25H16ClF2N3O3/c1-13-3-5-20-21(7-13)31-24(30-20)15(12-29)8-14-4-6-22(23(9-14)33-2)34-25(32)16-10-18(27)19(28)11-17(16)26/h3-11H,1-2H3,(H,30,31)/b15-8+
InChIKey KQTAVPOXBGRIOJ-OVCLIPMQSA-N
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Origin 1H_ASIOH_8516_7153
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/7048009; Labnumber: SAD-E300314; IOH_ID: IOH-014157