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

View entire compound with spectra: 2 NMR

Isopropyl 2-({[2-(4-isobutylphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[B]thiophene-3-carboxylate
SpectraBase Compound ID BuMoqICCTuM
InChI InChI=1S/C38H46N2O3S/c1-25(2)23-27-19-21-28(22-20-27)33-24-31(29-15-13-14-17-32(29)39-33)36(41)40-37-35(38(42)43-26(3)4)30-16-11-9-7-5-6-8-10-12-18-34(30)44-37/h13-15,17,19-22,24-26H,5-12,16,18,23H2,1-4H3,(H,40,41)
InChIKey AJBVXIUHHRXJQB-UHFFFAOYSA-N
Mol Weight 610.9 g/mol
Molecular Formula C38H46N2O3S
Exact Mass 610.322915 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4HCpDg3DQWF
Name isopropyl 2-({[2-(4-isobutylphenyl)-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 © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C38H46N2O3S/c1-25(2)23-27-19-21-28(22-20-27)33-24-31(29-15-13-14-17-32(29)39-33)36(41)40-37-35(38(42)43-26(3)4)30-16-11-9-7-5-6-8-10-12-18-34(30)44-37/h13-15,17,19-22,24-26H,5-12,16,18,23H2,1-4H3,(H,40,41)
InChIKey AJBVXIUHHRXJQB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1925
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/9433511; Labnumber: AM-AC/0117141; UZI_ID: UZI-001927
Temperature 318 °C