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isopropyl 2-({[1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazol-5-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID BBTvg69u2Oz
InChI InChI=1S/C20H20F3N3O3S2/c1-9(2)29-19(28)14-10-6-4-5-7-12(10)30-17(14)24-16(27)13-8-11-15(20(21,22)23)25-26(3)18(11)31-13/h8-9H,4-7H2,1-3H3,(H,24,27)
InChIKey QIGBNFMYEMJKFP-UHFFFAOYSA-N
Mol Weight 471.51 g/mol
Molecular Formula C20H20F3N3O3S2
Exact Mass 471.089818 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9eBmWTBv4SO
Name isopropyl 2-({[1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazol-5-yl]carbonyl}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/C20H20F3N3O3S2/c1-9(2)29-19(28)14-10-6-4-5-7-12(10)30-17(14)24-16(27)13-8-11-15(20(21,22)23)25-26(3)18(11)31-13/h8-9H,4-7H2,1-3H3,(H,24,27)
InChIKey QIGBNFMYEMJKFP-UHFFFAOYSA-N
NMR Offset 17.9111
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_33984
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: 1998220; SBI_ID: SBI-033988
Temperature 303 °C