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1H-benzimidazole-2-acetonitrile, alpha-[[5-(2-chloro-5-nitrophenyl)-2-furanyl]methylene]-6-methyl-
SpectraBase Compound ID 9FBEWGYu6KT
InChI InChI=1S/C21H13ClN4O3/c1-12-2-6-18-19(8-12)25-21(24-18)13(11-23)9-15-4-7-20(29-15)16-10-14(26(27)28)3-5-17(16)22/h2-10H,1H3,(H,24,25)/b13-9+
InChIKey QWNUDUVVXQLRGX-UKTHLTGXSA-N
Mol Weight 404.81 g/mol
Molecular Formula C21H13ClN4O3
Exact Mass 404.067618 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7vHpdNBHKoQ
Name 1H-benzimidazole-2-acetonitrile, alpha-[[5-(2-chloro-5-nitrophenyl)-2-furanyl]methylene]-6-methyl-
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/C21H13ClN4O3/c1-12-2-6-18-19(8-12)25-21(24-18)13(11-23)9-15-4-7-20(29-15)16-10-14(26(27)28)3-5-17(16)22/h2-10H,1H3,(H,24,25)/b13-9+
InChIKey QWNUDUVVXQLRGX-UKTHLTGXSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_198
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/5107353; Labnumber: BM-68753me; IOH_ID: IOH-007199