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methyl 2-[({[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]amino}carbothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID Kp4mZOtYqwp
InChI InChI=1S/C28H28N4O2S2/c1-18-13-14-22-23(15-18)36-26(24(22)27(33)34-2)30-28(35)29-16-20-17-32(21-11-7-4-8-12-21)31-25(20)19-9-5-3-6-10-19/h3-12,17-18H,13-16H2,1-2H3,(H2,29,30,35)
InChIKey JTYHCPYSXZUFRZ-UHFFFAOYSA-N
Mol Weight 516.68 g/mol
Molecular Formula C28H28N4O2S2
Exact Mass 516.165369 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CZ6oNErtCSa
Name methyl 2-[({[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]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/C28H28N4O2S2/c1-18-13-14-22-23(15-18)36-26(24(22)27(33)34-2)30-28(35)29-16-20-17-32(21-11-7-4-8-12-21)31-25(20)19-9-5-3-6-10-19/h3-12,17-18H,13-16H2,1-2H3,(H2,29,30,35)
InChIKey JTYHCPYSXZUFRZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8239
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/1268245; Labnumber: COL7233; UZI_ID: UZI-008241
Temperature 318 °C