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isopropyl 2-({[2-(3-ethoxyphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
SpectraBase Compound ID 7fLXxCBmv3T
InChI InChI=1S/C36H42N2O4S/c1-4-41-26-17-15-16-25(22-26)31-23-29(27-18-13-14-20-30(27)37-31)34(39)38-35-33(36(40)42-24(2)3)28-19-11-9-7-5-6-8-10-12-21-32(28)43-35/h13-18,20,22-24H,4-12,19,21H2,1-3H3,(H,38,39)
InChIKey JHCIDJGSUXSJBI-UHFFFAOYSA-N
Mol Weight 598.8 g/mol
Molecular Formula C36H42N2O4S
Exact Mass 598.286529 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5d377e2XIx6
Name isopropyl 2-({[2-(3-ethoxyphenyl)-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/C36H42N2O4S/c1-4-41-26-17-15-16-25(22-26)31-23-29(27-18-13-14-20-30(27)37-31)34(39)38-35-33(36(40)42-24(2)3)28-19-11-9-7-5-6-8-10-12-21-32(28)43-35/h13-18,20,22-24H,4-12,19,21H2,1-3H3,(H,38,39)
InChIKey JHCIDJGSUXSJBI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1923
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/9569582; Labnumber: AM-AC/0117121; UZI_ID: UZI-001925
Temperature 318 °C