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isopropyl 2-({[2-(4-bromophenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID FLSh3GUEvvi
InChI InChI=1S/C29H27BrN2O3S/c1-16(2)35-29(34)26-21-13-8-17(3)14-25(21)36-28(26)32-27(33)22-15-24(18-9-11-19(30)12-10-18)31-23-7-5-4-6-20(22)23/h4-7,9-12,15-17H,8,13-14H2,1-3H3,(H,32,33)
InChIKey PQZZRKIPYPPWGT-UHFFFAOYSA-N
Mol Weight 563.51 g/mol
Molecular Formula C29H27BrN2O3S
Exact Mass 562.092577 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CnTJ3KHny5u
Name isopropyl 2-({[2-(4-bromophenyl)-4-quinolinyl]carbonyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C29H27BrN2O3S/c1-16(2)35-29(34)26-21-13-8-17(3)14-25(21)36-28(26)32-27(33)22-15-24(18-9-11-19(30)12-10-18)31-23-7-5-4-6-20(22)23/h4-7,9-12,15-17H,8,13-14H2,1-3H3,(H,32,33)
InChIKey PQZZRKIPYPPWGT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2902
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: UZI/8070357; UBI_ID: UBI-002903
Temperature 318 °C