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isopropyl 2-{[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID GxbkeSYUoRp
InChI InChI=1S/C21H21F4NO4S/c1-11(2)29-19(28)16-14-8-3-4-9-15(14)31-18(16)26-17(27)12-6-5-7-13(10-12)30-21(24,25)20(22)23/h5-7,10-11,20H,3-4,8-9H2,1-2H3,(H,26,27)
InChIKey KRDCSIRZWALTCY-UHFFFAOYSA-N
Mol Weight 459.46 g/mol
Molecular Formula C21H21F4NO4S
Exact Mass 459.112742 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AzhCQb5YyRg
Name isopropyl 2-{[3-(1,1,2,2-tetrafluoroethoxy)benzoyl]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/C21H21F4NO4S/c1-11(2)29-19(28)16-14-8-3-4-9-15(14)31-18(16)26-17(27)12-6-5-7-13(10-12)30-21(24,25)20(22)23/h5-7,10-11,20H,3-4,8-9H2,1-2H3,(H,26,27)
InChIKey KRDCSIRZWALTCY-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9166
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/9041576; UBI_ID: UBI-009169
Temperature 313 °C