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ethyl 2-{[4-(4-chloro-2-methylphenoxy)butanoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID J8shb4Fzvge
InChI InChI=1S/C22H26ClNO4S/c1-3-27-22(26)20-16-7-4-5-8-18(16)29-21(20)24-19(25)9-6-12-28-17-11-10-15(23)13-14(17)2/h10-11,13H,3-9,12H2,1-2H3,(H,24,25)
InChIKey IPAMMSOBIBMRPU-UHFFFAOYSA-N
Mol Weight 435.97 g/mol
Molecular Formula C22H26ClNO4S
Exact Mass 435.127107 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JPKXF3BN3N7
Name ethyl 2-{[4-(4-chloro-2-methylphenoxy)butanoyl]amino}-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/C22H26ClNO4S/c1-3-27-22(26)20-16-7-4-5-8-18(16)29-21(20)24-19(25)9-6-12-28-17-11-10-15(23)13-14(17)2/h10-11,13H,3-9,12H2,1-2H3,(H,24,25)
InChIKey IPAMMSOBIBMRPU-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_12557
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/6227821; Labnumber: NSB0008373; UZI_ID: UZI-012561
Temperature 308 °C