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isopropyl 2-({[2-(3-isobutoxyphenyl)-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-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
SpectraBase Compound ID ETJ7HVMWEpe
InChI InChI=1S/C38H46N2O4S/c1-25(2)24-43-28-17-15-16-27(22-28)33-23-31(29-18-13-14-20-32(29)39-33)36(41)40-37-35(38(42)44-26(3)4)30-19-11-9-7-5-6-8-10-12-21-34(30)45-37/h13-18,20,22-23,25-26H,5-12,19,21,24H2,1-4H3,(H,40,41)
InChIKey JGDPLNVUBKGKQI-UHFFFAOYSA-N
Mol Weight 626.9 g/mol
Molecular Formula C38H46N2O4S
Exact Mass 626.317829 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ESSUONJvpg7
Name isopropyl 2-({[2-(3-isobutoxyphenyl)-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/C38H46N2O4S/c1-25(2)24-43-28-17-15-16-27(22-28)33-23-31(29-18-13-14-20-32(29)39-33)36(41)40-37-35(38(42)44-26(3)4)30-19-11-9-7-5-6-8-10-12-21-34(30)45-37/h13-18,20,22-23,25-26H,5-12,19,21,24H2,1-4H3,(H,40,41)
InChIKey JGDPLNVUBKGKQI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1926
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/9526525; Labnumber: AM-AC/0117147; UZI_ID: UZI-001928
Temperature 318 °C