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ethyl 2-({[2-(4-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

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ethyl 2-({[2-(4-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID DYG20XQmZPW
InChI InChI=1S/C31H32N2O4S/c1-4-36-31(35)28-23-11-6-5-7-13-27(23)38-30(28)33-29(34)24-18-26(32-25-12-9-8-10-22(24)25)20-14-16-21(17-15-20)37-19(2)3/h8-10,12,14-19H,4-7,11,13H2,1-3H3,(H,33,34)
InChIKey HLIIYRLMJYMJOM-UHFFFAOYSA-N
Mol Weight 528.7 g/mol
Molecular Formula C31H32N2O4S
Exact Mass 528.208279 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9w3LzoQjrn1
Name ethyl 2-({[2-(4-isopropoxyphenyl)-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/C31H32N2O4S/c1-4-36-31(35)28-23-11-6-5-7-13-27(23)38-30(28)33-29(34)24-18-26(32-25-12-9-8-10-22(24)25)20-14-16-21(17-15-20)37-19(2)3/h8-10,12,14-19H,4-7,11,13H2,1-3H3,(H,33,34)
InChIKey HLIIYRLMJYMJOM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1866
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/9538562; Labnumber: AM-AC/0039484; UZI_ID: UZI-001868
Temperature 318 °C