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ethyl 2-({[(3,4-difluorobenzoyl)amino]carbothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 1MBOFQJ4vO1
InChI InChI=1S/C20H20F2N2O3S2/c1-3-27-19(26)16-12-6-4-10(2)8-15(12)29-18(16)24-20(28)23-17(25)11-5-7-13(21)14(22)9-11/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,23,24,25,28)
InChIKey DSZBGQJTTWILCW-UHFFFAOYSA-N
Mol Weight 438.51 g/mol
Molecular Formula C20H20F2N2O3S2
Exact Mass 438.088341 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4ptcx5NdBEO
Name ethyl 2-({[(3,4-difluorobenzoyl)amino]carbothioyl}amino)-6-methyl-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/C20H20F2N2O3S2/c1-3-27-19(26)16-12-6-4-10(2)8-15(12)29-18(16)24-20(28)23-17(25)11-5-7-13(21)14(22)9-11/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,23,24,25,28)
InChIKey DSZBGQJTTWILCW-UHFFFAOYSA-N
NMR Offset 17.7487
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_9832
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/9057287; UBI_ID: UBI-009835
Temperature 308 °C