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isopropyl 2-({[2-(3,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate

View entire compound with spectra: 1 NMR

isopropyl 2-({[2-(3,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
SpectraBase Compound ID HAhJ9TiRZX
InChI InChI=1S/C36H42N2O3S/c1-23(2)41-36(40)33-28-16-11-9-7-5-6-8-10-12-18-32(28)42-35(33)38-34(39)29-22-31(26-20-19-24(3)25(4)21-26)37-30-17-14-13-15-27(29)30/h13-15,17,19-23H,5-12,16,18H2,1-4H3,(H,38,39)
InChIKey APLNBXVWKFWWBB-UHFFFAOYSA-N
Mol Weight 582.8 g/mol
Molecular Formula C36H42N2O3S
Exact Mass 582.291614 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9CFrwtCISFG
Name isopropyl 2-({[2-(3,4-dimethylphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[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/C36H42N2O3S/c1-23(2)41-36(40)33-28-16-11-9-7-5-6-8-10-12-18-32(28)42-35(33)38-34(39)29-22-31(26-20-19-24(3)25(4)21-26)37-30-17-14-13-15-27(29)30/h13-15,17,19-23H,5-12,16,18H2,1-4H3,(H,38,39)
InChIKey APLNBXVWKFWWBB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1922
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/9434569; Labnumber: AM-AC/0117116; UZI_ID: UZI-001924
Temperature 318 °C