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ethyl 5-benzyl-2-({[[(1-ethyl-1H-pyrazol-4-yl)methyl](methyl)amino]carbothioyl}amino)-3-thiophenecarboxylate
SpectraBase Compound ID AW89h5xta8H
InChI InChI=1S/C22H26N4O2S2/c1-4-26-15-17(13-23-26)14-25(3)22(29)24-20-19(21(27)28-5-2)12-18(30-20)11-16-9-7-6-8-10-16/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H,24,29)
InChIKey PXQCFFLOBHBIKM-UHFFFAOYSA-N
Mol Weight 442.6 g/mol
Molecular Formula C22H26N4O2S2
Exact Mass 442.149718 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AK8pJhQFJpX
Name ethyl 5-benzyl-2-({[[(1-ethyl-1H-pyrazol-4-yl)methyl](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/C22H26N4O2S2/c1-4-26-15-17(13-23-26)14-25(3)22(29)24-20-19(21(27)28-5-2)12-18(30-20)11-16-9-7-6-8-10-16/h6-10,12-13,15H,4-5,11,14H2,1-3H3,(H,24,29)
InChIKey PXQCFFLOBHBIKM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7926
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/1269761; Labnumber: COL6445; UZI_ID: UZI-007928
Temperature 318 °C