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2-({[(2,4-dimethylbenzoyl)amino]carbothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID 2orq9ypJFaY
InChI InChI=1S/C20H23N3O2S2/c1-10-4-6-13(12(3)8-10)18(25)22-20(26)23-19-16(17(21)24)14-7-5-11(2)9-15(14)27-19/h4,6,8,11H,5,7,9H2,1-3H3,(H2,21,24)(H2,22,23,25,26)
InChIKey BFGHTGNRODGJTN-UHFFFAOYSA-N
Mol Weight 401.54 g/mol
Molecular Formula C20H23N3O2S2
Exact Mass 401.123169 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JwfzLnWS4hB
Name 2-({[(2,4-dimethylbenzoyl)amino]carbothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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/C20H23N3O2S2/c1-10-4-6-13(12(3)8-10)18(25)22-20(26)23-19-16(17(21)24)14-7-5-11(2)9-15(14)27-19/h4,6,8,11H,5,7,9H2,1-3H3,(H2,21,24)(H2,22,23,25,26)
InChIKey BFGHTGNRODGJTN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5010
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: E12751; Labnumber: SPMOS1-48100; SBI_ID: SBI-005012
Temperature 308 °C