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isopropyl 2-{[(3,4-dichlorophenoxy)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 3MlGX2vwhbM
InChI InChI=1S/C21H23Cl2NO4S/c1-12(2)28-21(26)19-14-6-4-3-5-7-17(14)29-20(19)24-18(25)11-27-13-8-9-15(22)16(23)10-13/h8-10,12H,3-7,11H2,1-2H3,(H,24,25)
InChIKey NRIUZFWBUZAQDP-UHFFFAOYSA-N
Mol Weight 456.38 g/mol
Molecular Formula C21H23Cl2NO4S
Exact Mass 455.072485 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JJzVfF3lJQl
Name isopropyl 2-{[(3,4-dichlorophenoxy)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/C21H23Cl2NO4S/c1-12(2)28-21(26)19-14-6-4-3-5-7-17(14)29-20(19)24-18(25)11-27-13-8-9-15(22)16(23)10-13/h8-10,12H,3-7,11H2,1-2H3,(H,24,25)
InChIKey NRIUZFWBUZAQDP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18722
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/9129472; Labnumber: UGB-0018002; UZI_ID: UZI-018729
Temperature 318 °C