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methyl 2-{[2,2,2-trifluoro-1-[(phenylacetyl)amino]-1-(trifluoromethyl)ethyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

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methyl 2-{[2,2,2-trifluoro-1-[(phenylacetyl)amino]-1-(trifluoromethyl)ethyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 77YVdlGB5xt
InChI InChI=1S/C22H22F6N2O3S/c1-33-19(32)17-14-10-6-3-7-11-15(14)34-18(17)30-20(21(23,24)25,22(26,27)28)29-16(31)12-13-8-4-2-5-9-13/h2,4-5,8-9,30H,3,6-7,10-12H2,1H3,(H,29,31)
InChIKey ZGYMUAQMOWGJNJ-UHFFFAOYSA-N
Mol Weight 508.48 g/mol
Molecular Formula C22H22F6N2O3S
Exact Mass 508.125533 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9eEUxTl2FQg
Name methyl 2-{[2,2,2-trifluoro-1-[(phenylacetyl)amino]-1-(trifluoromethyl)ethyl]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/C22H22F6N2O3S/c1-33-19(32)17-14-10-6-3-7-11-15(14)34-18(17)30-20(21(23,24)25,22(26,27)28)29-16(31)12-13-8-4-2-5-9-13/h2,4-5,8-9,30H,3,6-7,10-12H2,1H3,(H,29,31)
InChIKey ZGYMUAQMOWGJNJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20323
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: D16531; Labnumber: SOK-1454; SBI_ID: SBI-020327
Temperature 318 °C