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methyl 2-({[2-(1-benzothien-3-ylcarbonyl)hydrazino]carbothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID Jd99PRy40JS
InChI InChI=1S/C21H21N3O3S3/c1-11-7-8-13-16(9-11)30-19(17(13)20(26)27-2)22-21(28)24-23-18(25)14-10-29-15-6-4-3-5-12(14)15/h3-6,10-11H,7-9H2,1-2H3,(H,23,25)(H2,22,24,28)
InChIKey FBHBBIAFDNJWNE-UHFFFAOYSA-N
Mol Weight 459.6 g/mol
Molecular Formula C21H21N3O3S3
Exact Mass 459.074505 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KLpa79BniqX
Name methyl 2-({[2-(1-benzothien-3-ylcarbonyl)hydrazino]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/C21H21N3O3S3/c1-11-7-8-13-16(9-11)30-19(17(13)20(26)27-2)22-21(28)24-23-18(25)14-10-29-15-6-4-3-5-12(14)15/h3-6,10-11H,7-9H2,1-2H3,(H,23,25)(H2,22,24,28)
InChIKey FBHBBIAFDNJWNE-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8250
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/1270041; Labnumber: COL7251; UZI_ID: UZI-008252
Temperature 318 °C