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ethyl 5-benzyl-2-({[(4-fluorobenzyl)amino]carbothioyl}amino)-3-thiophenecarboxylate
SpectraBase Compound ID KCWD10oCR2g
InChI InChI=1S/C22H21FN2O2S2/c1-2-27-21(26)19-13-18(12-15-6-4-3-5-7-15)29-20(19)25-22(28)24-14-16-8-10-17(23)11-9-16/h3-11,13H,2,12,14H2,1H3,(H2,24,25,28)
InChIKey XTYHUVPMGUOJPN-UHFFFAOYSA-N
Mol Weight 428.54 g/mol
Molecular Formula C22H21FN2O2S2
Exact Mass 428.102848 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CqO0tLqy3J9
Name ethyl 5-benzyl-2-({[(4-fluorobenzyl)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/C22H21FN2O2S2/c1-2-27-21(26)19-13-18(12-15-6-4-3-5-7-15)29-20(19)25-22(28)24-14-16-8-10-17(23)11-9-16/h3-11,13H,2,12,14H2,1H3,(H2,24,25,28)
InChIKey XTYHUVPMGUOJPN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7924
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/1268757; Labnumber: COL6442; UZI_ID: UZI-007926
Temperature 318 °C