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methyl 2-({[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID 3vFWwyzOz8w
InChI InChI=1S/C26H22N2O4S/c1-31-16-8-5-7-15(13-16)21-14-19(17-9-3-4-11-20(17)27-21)24(29)28-25-23(26(30)32-2)18-10-6-12-22(18)33-25/h3-5,7-9,11,13-14H,6,10,12H2,1-2H3,(H,28,29)
InChIKey MKQHPHBLESKRMY-UHFFFAOYSA-N
Mol Weight 458.53 g/mol
Molecular Formula C26H22N2O4S
Exact Mass 458.130028 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5vAL2tTmUcX
Name methyl 2-({[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[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/C26H22N2O4S/c1-31-16-8-5-7-15(13-16)21-14-19(17-9-3-4-11-20(17)27-21)24(29)28-25-23(26(30)32-2)18-10-6-12-22(18)33-25/h3-5,7-9,11,13-14H,6,10,12H2,1-2H3,(H,28,29)
InChIKey MKQHPHBLESKRMY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2881
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/8069233; UBI_ID: UBI-002882
Temperature 318 °C