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methyl 6-methyl-2-[({[1-(4-methylbenzyl)-1H-pyrazol-3-yl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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methyl 6-methyl-2-[({[1-(4-methylbenzyl)-1H-pyrazol-3-yl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID FOWu6kqHiOs
InChI InChI=1S/C23H26N4O2S2/c1-14-4-7-16(8-5-14)13-27-11-10-19(26-27)24-23(30)25-21-20(22(28)29-3)17-9-6-15(2)12-18(17)31-21/h4-5,7-8,10-11,15H,6,9,12-13H2,1-3H3,(H2,24,25,26,30)
InChIKey BIQJERLUNXAOOO-UHFFFAOYSA-N
Mol Weight 454.61 g/mol
Molecular Formula C23H26N4O2S2
Exact Mass 454.149718 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4r1ai45EG2q
Name methyl 6-methyl-2-[({[1-(4-methylbenzyl)-1H-pyrazol-3-yl]amino}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/C23H26N4O2S2/c1-14-4-7-16(8-5-14)13-27-11-10-19(26-27)24-23(30)25-21-20(22(28)29-3)17-9-6-15(2)12-18(17)31-21/h4-5,7-8,10-11,15H,6,9,12-13H2,1-3H3,(H2,24,25,26,30)
InChIKey BIQJERLUNXAOOO-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8242
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/1270015; Labnumber: COL7241; UZI_ID: UZI-008244
Temperature 318 °C