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ethyl 2-({[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 79gHXOKdmEe
InChI InChI=1S/C29H28N2O4S/c1-3-35-29(33)26-21-13-5-4-6-15-25(21)36-28(26)31-27(32)22-17-24(18-10-9-11-19(16-18)34-2)30-23-14-8-7-12-20(22)23/h7-12,14,16-17H,3-6,13,15H2,1-2H3,(H,31,32)
InChIKey RMVDSIUYPHTAHJ-UHFFFAOYSA-N
Mol Weight 500.61 g/mol
Molecular Formula C29H28N2O4S
Exact Mass 500.176979 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LOiY2r5vmjw
Name ethyl 2-({[2-(3-methoxyphenyl)-4-quinolinyl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[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/C29H28N2O4S/c1-3-35-29(33)26-21-13-5-4-6-15-25(21)36-28(26)31-27(32)22-17-24(18-10-9-11-19(16-18)34-2)30-23-14-8-7-12-20(22)23/h7-12,14,16-17H,3-6,13,15H2,1-2H3,(H,31,32)
InChIKey RMVDSIUYPHTAHJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3325
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/8088951; UBI_ID: UBI-003326
Temperature 318 °C