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ethyl 2-({3-[(4-chlorophenoxy)methyl]benzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 8jxCptb68RF
InChI InChI=1S/C26H26ClNO4S/c1-2-31-26(30)23-21-9-4-3-5-10-22(21)33-25(23)28-24(29)18-8-6-7-17(15-18)16-32-20-13-11-19(27)12-14-20/h6-8,11-15H,2-5,9-10,16H2,1H3,(H,28,29)
InChIKey NNBXGZOASTXTKB-UHFFFAOYSA-N
Mol Weight 484.01 g/mol
Molecular Formula C26H26ClNO4S
Exact Mass 483.127107 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6LdUgTWE6vs
Name ethyl 2-({3-[(4-chlorophenoxy)methyl]benzoyl}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/C26H26ClNO4S/c1-2-31-26(30)23-21-9-4-3-5-10-22(21)33-25(23)28-24(29)18-8-6-7-17(15-18)16-32-20-13-11-19(27)12-14-20/h6-8,11-15H,2-5,9-10,16H2,1H3,(H,28,29)
InChIKey NNBXGZOASTXTKB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4430
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: 9682952; UBI_ID: UBI-004431
Temperature 318 °C