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2-[(4-tert-butylbenzyl)sulfanyl]-6-chloro-3H-imidazo[4,5-b]pyridine
SpectraBase Compound ID 11sfgyEChBA
InChI InChI=1S/C17H18ClN3S/c1-17(2,3)12-6-4-11(5-7-12)10-22-16-20-14-8-13(18)9-19-15(14)21-16/h4-9H,10H2,1-3H3,(H,19,20,21)
InChIKey BDSHOMAOQNMDGX-UHFFFAOYSA-N
Mol Weight 331.87 g/mol
Molecular Formula C17H18ClN3S
Exact Mass 331.090996 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 81cIFeSkjNg
Name 2-[(4-tert-butylbenzyl)sulfanyl]-6-chloro-3H-imidazo[4,5-b]pyridine
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/C17H18ClN3S/c1-17(2,3)12-6-4-11(5-7-12)10-22-16-20-14-8-13(18)9-19-15(14)21-16/h4-9H,10H2,1-3H3,(H,19,20,21)
InChIKey BDSHOMAOQNMDGX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26266
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: D62706; Labnumber: UDSG-06999; SBI_ID: SBI-026270
Synonyms 4-tert-butylbenzyl 6-chloro-3H-imidazo[4,5-b]pyridin-2-yl sulfide
Temperature 318 °C