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2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-tert-butyl-4-(2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
SpectraBase Compound ID 6MtcSzSjhtD
InChI InChI=1S/C26H25BrN2OS2/c1-26(2,3)17-8-11-21-19(13-17)24(23-5-4-12-31-23)20(14-28)25(29-21)32-15-22(30)16-6-9-18(27)10-7-16/h4-7,9-10,12,17H,8,11,13,15H2,1-3H3
InChIKey VAMFFXIUZRYRGA-UHFFFAOYSA-N
Mol Weight 525.52 g/mol
Molecular Formula C26H25BrN2OS2
Exact Mass 524.059169 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AX6vZrGMSrU
Name 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-6-tert-butyl-4-(2-thienyl)-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
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/C26H25BrN2OS2/c1-26(2,3)17-8-11-21-19(13-17)24(23-5-4-12-31-23)20(14-28)25(29-21)32-15-22(30)16-6-9-18(27)10-7-16/h4-7,9-10,12,17H,8,11,13,15H2,1-3H3
InChIKey VAMFFXIUZRYRGA-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_10526
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: 132607; Labnumber: SHES1-165; VK_ID: VK-010530
Temperature 308 °C