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methyl 2-({[2-(3-chlorophenyl)-3-methyl-4-quinolinyl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID BgeGz8KHT5i
InChI InChI=1S/C28H25ClN2O3S/c1-16-23(19-11-6-7-13-21(19)30-25(16)17-9-8-10-18(29)15-17)26(32)31-27-24(28(33)34-2)20-12-4-3-5-14-22(20)35-27/h6-11,13,15H,3-5,12,14H2,1-2H3,(H,31,32)
InChIKey JWPKDSHIPPHGBB-UHFFFAOYSA-N
Mol Weight 505.03 g/mol
Molecular Formula C28H25ClN2O3S
Exact Mass 504.127442 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 46pz5eNMfg7
Name methyl 2-({[2-(3-chlorophenyl)-3-methyl-4-quinolinyl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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/C28H25ClN2O3S/c1-16-23(19-11-6-7-13-21(19)30-25(16)17-9-8-10-18(29)15-17)26(32)31-27-24(28(33)34-2)20-12-4-3-5-14-22(20)35-27/h6-11,13,15H,3-5,12,14H2,1-2H3,(H,31,32)
InChIKey JWPKDSHIPPHGBB-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1863
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/9527109; Labnumber: AM-AC/0039174; UZI_ID: UZI-001865
Temperature 308 °C