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ethyl 2-{[(3,4-dimethoxyphenyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID KgvGrw6Yf3u
InChI InChI=1S/C22H27NO5S/c1-4-28-22(25)20-15-8-6-5-7-9-18(15)29-21(20)23-19(24)13-14-10-11-16(26-2)17(12-14)27-3/h10-12H,4-9,13H2,1-3H3,(H,23,24)
InChIKey GSJNKEKSBSUFDE-UHFFFAOYSA-N
Mol Weight 417.52 g/mol
Molecular Formula C22H27NO5S
Exact Mass 417.160994 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J6WQJEOF1KR
Name ethyl 2-{[(3,4-dimethoxyphenyl)acetyl]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/C22H27NO5S/c1-4-28-22(25)20-15-8-6-5-7-9-18(15)29-21(20)23-19(24)13-14-10-11-16(26-2)17(12-14)27-3/h10-12H,4-9,13H2,1-3H3,(H,23,24)
InChIKey GSJNKEKSBSUFDE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10510
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/9065106; Labnumber: KOL85-0263; UZI_ID: UZI-010512
Temperature 318 °C