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ethyl 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: 1 NMR

ethyl 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 KY1JNRdj00a
InChI InChI=1S/C37H44N2O3S/c1-4-42-37(41)34-29-16-11-9-7-5-6-8-10-12-18-33(29)43-36(34)39-35(40)30-24-32(38-31-17-14-13-15-28(30)31)27-21-19-26(20-22-27)23-25(2)3/h13-15,17,19-22,24-25H,4-12,16,18,23H2,1-3H3,(H,39,40)
InChIKey VERFIIUXTOQXMY-UHFFFAOYSA-N
Mol Weight 596.8 g/mol
Molecular Formula C37H44N2O3S
Exact Mass 596.307264 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JeSNQXl2OQ7
Name ethyl 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 © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C37H44N2O3S/c1-4-42-37(41)34-29-16-11-9-7-5-6-8-10-12-18-33(29)43-36(34)39-35(40)30-24-32(38-31-17-14-13-15-28(30)31)27-21-19-26(20-22-27)23-25(2)3/h13-15,17,19-22,24-25H,4-12,16,18,23H2,1-3H3,(H,39,40)
InChIKey VERFIIUXTOQXMY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9955
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/9067998; UBI_ID: UBI-009958
Temperature 318 °C