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2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-tert-butyl-4-(2-furyl)nicotinonitrile
SpectraBase Compound ID 5HWAAjs3hjm
InChI InChI=1S/C22H19BrN2O2S/c1-22(2,3)20-11-16(19-5-4-10-27-19)17(12-24)21(25-20)28-13-18(26)14-6-8-15(23)9-7-14/h4-11H,13H2,1-3H3
InChIKey ZVDODZSYJNCDDQ-UHFFFAOYSA-N
Mol Weight 455.37 g/mol
Molecular Formula C22H19BrN2O2S
Exact Mass 454.035062 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C5m396ifyUa
Name 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-tert-butyl-4-(2-furyl)nicotinonitrile
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/C22H19BrN2O2S/c1-22(2,3)20-11-16(19-5-4-10-27-19)17(12-24)21(25-20)28-13-18(26)14-6-8-15(23)9-7-14/h4-11H,13H2,1-3H3
InChIKey ZVDODZSYJNCDDQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_2764
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: 114320; Labnumber: RRKR-2215; VK_ID: VK-002765
Temperature 318 °C