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3-methyl-1-[(4-methylbenzyl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
SpectraBase Compound ID BcuXyQd8O1Q
InChI InChI=1S/C21H17N3S/c1-14-7-9-16(10-8-14)13-25-20-11-15(2)17(12-22)21-23-18-5-3-4-6-19(18)24(20)21/h3-11H,13H2,1-2H3
InChIKey CFAKSSOXORPEDS-UHFFFAOYSA-N
Mol Weight 343.45 g/mol
Molecular Formula C21H17N3S
Exact Mass 343.114319 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4s40TcGjRiz
Name 3-methyl-1-[(4-methylbenzyl)sulfanyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
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/C21H17N3S/c1-14-7-9-16(10-8-14)13-25-20-11-15(2)17(12-22)21-23-18-5-3-4-6-19(18)24(20)21/h3-11H,13H2,1-2H3
InChIKey CFAKSSOXORPEDS-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13956
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: D91411; Labnumber: POPOV-4090; SBI_ID: SBI-013959
Temperature 303 °C