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

View entire compound with spectra: 1 NMR

isopropyl 2-({[2-(3,4-dimethoxyphenyl)-4-quinolinyl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID IfbePPwlM95
InChI InChI=1S/C31H32N2O5S/c1-18(2)38-31(35)28-21-11-6-5-7-13-27(21)39-30(28)33-29(34)22-17-24(32-23-12-9-8-10-20(22)23)19-14-15-25(36-3)26(16-19)37-4/h8-10,12,14-18H,5-7,11,13H2,1-4H3,(H,33,34)
InChIKey RTXWHTUMDKIHTB-UHFFFAOYSA-N
Mol Weight 544.7 g/mol
Molecular Formula C31H32N2O5S
Exact Mass 544.203193 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H03ExbIVOvD
Name isopropyl 2-({[2-(3,4-dimethoxyphenyl)-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/C31H32N2O5S/c1-18(2)38-31(35)28-21-11-6-5-7-13-27(21)39-30(28)33-29(34)22-17-24(32-23-12-9-8-10-20(22)23)19-14-15-25(36-3)26(16-19)37-4/h8-10,12,14-18H,5-7,11,13H2,1-4H3,(H,33,34)
InChIKey RTXWHTUMDKIHTB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6151
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/8180619; UBI_ID: UBI-006153
Temperature 318 °C