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N,N-diethyl-2-(2-{[3-(trifluoromethyl)benzoyl]amino}-1H-benzimidazol-1-yl)ethanaminium
SpectraBase Compound ID KTFICZ8kHfP
InChI InChI=1S/C21H23F3N4O/c1-3-27(4-2)12-13-28-18-11-6-5-10-17(18)25-20(28)26-19(29)15-8-7-9-16(14-15)21(22,23)24/h5-11,14H,3-4,12-13H2,1-2H3,(H,25,26,29)/p+1
InChIKey CXIGNAGRVXIXMV-UHFFFAOYSA-O
Mol Weight 405.45 g/mol
Molecular Formula C21H24F3N4O
Exact Mass 405.190221 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AsdPSFOpbum
Name N,N-diethyl-2-(2-{[3-(trifluoromethyl)benzoyl]amino}-1H-benzimidazol-1-yl)ethanaminium
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/C21H23F3N4O/c1-3-27(4-2)12-13-28-18-11-6-5-10-17(18)25-20(28)26-19(29)15-8-7-9-16(14-15)21(22,23)24/h5-11,14H,3-4,12-13H2,1-2H3,(H,25,26,29)/p+1
InChIKey CXIGNAGRVXIXMV-UHFFFAOYSA-O
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10251
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: UZI/9070077; UBI_ID: UBI-010254
Temperature 318 °C