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methyl 2-({[6-bromo-2-(4-tert-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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methyl 2-({[6-bromo-2-(4-tert-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 7qrEE0clB8z
InChI InChI=1S/C32H33BrN2O3S/c1-6-18-7-13-22-27(15-18)39-30(28(22)31(37)38-5)35-29(36)24-17-26(34-25-14-12-21(33)16-23(24)25)19-8-10-20(11-9-19)32(2,3)4/h8-12,14,16-18H,6-7,13,15H2,1-5H3,(H,35,36)
InChIKey YPILMMHMSXQSIR-UHFFFAOYSA-N
Mol Weight 605.6 g/mol
Molecular Formula C32H33BrN2O3S
Exact Mass 604.139527 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5HUBULHqmmx
Name methyl 2-({[6-bromo-2-(4-tert-butylphenyl)-4-quinolinyl]carbonyl}amino)-6-ethyl-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/C32H33BrN2O3S/c1-6-18-7-13-22-27(15-18)39-30(28(22)31(37)38-5)35-29(36)24-17-26(34-25-14-12-21(33)16-23(24)25)19-8-10-20(11-9-19)32(2,3)4/h8-12,14,16-18H,6-7,13,15H2,1-5H3,(H,35,36)
InChIKey YPILMMHMSXQSIR-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1857
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/9441864; Labnumber: AM-AC/0037388; UZI_ID: UZI-001859
Temperature 308 °C