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1H-benzimidazole-2-acetonitrile, alpha-[[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-
SpectraBase Compound ID 2ZqAcSFAsZ1
InChI InChI=1S/C22H17FN4/c1-14-11-16(15(2)27(14)19-9-7-18(23)8-10-19)12-17(13-24)22-25-20-5-3-4-6-21(20)26-22/h3-12H,1-2H3,(H,25,26)/b17-12+
InChIKey SKHAHKSWWKQYSL-SFQUDFHCSA-N
Mol Weight 356.4 g/mol
Molecular Formula C22H17FN4
Exact Mass 356.143725 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 56aBzXW935a
Name 1H-benzimidazole-2-acetonitrile, alpha-[[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.143724726 u
Formula C22H17FN4
InChI InChI=1S/C22H17FN4/c1-14-11-16(15(2)27(14)19-9-7-18(23)8-10-19)12-17(13-24)22-25-20-5-3-4-6-21(20)26-22/h3-12H,1-2H3,(H,25,26)/b17-12+
InChIKey SKHAHKSWWKQYSL-SFQUDFHCSA-N
Molecular Weight 356.404 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8427
Solvent DMSO-d6
Source Vendor ID: NMR/9322406; Lab Info: SAD; Lab Number: SAD-1001288