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ethyl 2-{[(2,4-difluorophenoxy)acetyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID B9MrlhYflXa
InChI InChI=1S/C21H23F2NO4S/c1-3-12-5-7-14-17(9-12)29-20(19(14)21(26)27-4-2)24-18(25)11-28-16-8-6-13(22)10-15(16)23/h6,8,10,12H,3-5,7,9,11H2,1-2H3,(H,24,25)
InChIKey HBNSTJCNSVMTCS-UHFFFAOYSA-N
Mol Weight 423.47 g/mol
Molecular Formula C21H23F2NO4S
Exact Mass 423.131586 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FZkxEPdoJ0C
Name ethyl 2-{[(2,4-difluorophenoxy)acetyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-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/C21H23F2NO4S/c1-3-12-5-7-14-17(9-12)29-20(19(14)21(26)27-4-2)24-18(25)11-28-16-8-6-13(22)10-15(16)23/h6,8,10,12H,3-5,7,9,11H2,1-2H3,(H,24,25)
InChIKey HBNSTJCNSVMTCS-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_2696
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: NMR/9313059; Labnumber: PNA-NA00765