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methyl 2-({[2-(1-benzothien-3-ylcarbonyl)hydrazino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID CsRkfvWtW4c
InChI InChI=1S/C20H19N3O3S3/c1-26-19(25)16-12-7-3-5-9-15(12)29-18(16)21-20(27)23-22-17(24)13-10-28-14-8-4-2-6-11(13)14/h2,4,6,8,10H,3,5,7,9H2,1H3,(H,22,24)(H2,21,23,27)
InChIKey JTYALZDDRPECJL-UHFFFAOYSA-N
Mol Weight 445.57 g/mol
Molecular Formula C20H19N3O3S3
Exact Mass 445.058855 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3qlg9uX8YKG
Name methyl 2-({[2-(1-benzothien-3-ylcarbonyl)hydrazino]carbothioyl}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/C20H19N3O3S3/c1-26-19(25)16-12-7-3-5-9-15(12)29-18(16)21-20(27)23-22-17(24)13-10-28-14-8-4-2-6-11(13)14/h2,4,6,8,10H,3,5,7,9H2,1H3,(H,22,24)(H2,21,23,27)
InChIKey JTYALZDDRPECJL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7760
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/1269346; Labnumber: COL6072; UZI_ID: UZI-007762
Temperature 318 °C