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2-({[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
SpectraBase Compound ID A1jNwZWq21E
InChI InChI=1S/C18H16ClN5S/c1-2-24-17(12-6-5-7-13(19)10-12)22-23-18(24)25-11-16-20-14-8-3-4-9-15(14)21-16/h3-10H,2,11H2,1H3,(H,20,21)
InChIKey DGZGZBPPUPQOFQ-UHFFFAOYSA-N
Mol Weight 369.87 g/mol
Molecular Formula C18H16ClN5S
Exact Mass 369.081494 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CDueXKrY8BL
Name 2-({[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
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/C18H16ClN5S/c1-2-24-17(12-6-5-7-13(19)10-12)22-23-18(24)25-11-16-20-14-8-3-4-9-15(14)21-16/h3-10H,2,11H2,1H3,(H,20,21)
InChIKey DGZGZBPPUPQOFQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11272
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: E06565; Labnumber: GRES-24766; SBI_ID: SBI-011275
Synonyms 1H-benzimidazol-2-ylmethyl 5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl sulfide
Temperature 308 °C