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isopropyl 6-methyl-2-{[(2,3,5,6-tetrafluorophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 6bdlZzwAIHV
InChI InChI=1S/C21H21F4NO4S/c1-9(2)30-21(28)16-11-5-4-10(3)6-14(11)31-20(16)26-15(27)8-29-19-17(24)12(22)7-13(23)18(19)25/h7,9-10H,4-6,8H2,1-3H3,(H,26,27)
InChIKey MHLINFSQATVXOU-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 3W8Yojb5z22
Name isopropyl 6-methyl-2-{[(2,3,5,6-tetrafluorophenoxy)acetyl]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/c1-9(2)30-21(28)16-11-5-4-10(3)6-14(11)31-20(16)26-15(27)8-29-19-17(24)12(22)7-13(23)18(19)25/h7,9-10H,4-6,8H2,1-3H3,(H,26,27)
InChIKey MHLINFSQATVXOU-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4755
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/8132761; UBI_ID: UBI-004756
Temperature 308 °C