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ethyl 5-benzyl-2-[({methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}carbothioyl)amino]-3-thiophenecarboxylate
SpectraBase Compound ID C6VZ0eIajCn
InChI InChI=1S/C23H28N4O2S2/c1-6-29-22(28)19-13-18(12-17-10-8-7-9-11-17)31-21(19)24-23(30)26(4)14-20-15(2)25-27(5)16(20)3/h7-11,13H,6,12,14H2,1-5H3,(H,24,30)
InChIKey QRILAKKTIUPPGL-UHFFFAOYSA-N
Mol Weight 456.62 g/mol
Molecular Formula C23H28N4O2S2
Exact Mass 456.165369 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AOKKxwOlgoO
Name ethyl 5-benzyl-2-[({methyl[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}carbothioyl)amino]-3-thiophenecarboxylate
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/C23H28N4O2S2/c1-6-29-22(28)19-13-18(12-17-10-8-7-9-11-17)31-21(19)24-23(30)26(4)14-20-15(2)25-27(5)16(20)3/h7-11,13H,6,12,14H2,1-5H3,(H,24,30)
InChIKey QRILAKKTIUPPGL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7928
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/1270228; Labnumber: COL6447; UZI_ID: UZI-007930
Temperature 318 °C