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isopropyl 2-({[2-(1,3-benzodioxol-5-yl)-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-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
SpectraBase Compound ID luc9XrKZzm
InChI InChI=1S/C35H38N2O5S/c1-22(2)42-35(39)32-25-14-9-7-5-3-4-6-8-10-16-31(25)43-34(32)37-33(38)26-20-28(36-27-15-12-11-13-24(26)27)23-17-18-29-30(19-23)41-21-40-29/h11-13,15,17-20,22H,3-10,14,16,21H2,1-2H3,(H,37,38)
InChIKey LDXIDWSDQWDDNF-UHFFFAOYSA-N
Mol Weight 598.8 g/mol
Molecular Formula C35H38N2O5S
Exact Mass 598.250144 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1shLc7d7iOP
Name isopropyl 2-({[2-(1,3-benzodioxol-5-yl)-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/C35H38N2O5S/c1-22(2)42-35(39)32-25-14-9-7-5-3-4-6-8-10-16-31(25)43-34(32)37-33(38)26-20-28(36-27-15-12-11-13-24(26)27)23-17-18-29-30(19-23)41-21-40-29/h11-13,15,17-20,22H,3-10,14,16,21H2,1-2H3,(H,37,38)
InChIKey LDXIDWSDQWDDNF-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1924
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/9392349; Labnumber: AM-AC/0117125; UZI_ID: UZI-001926
Temperature 308 °C