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ethyl 5-benzyl-2-({[(4-chlorobenzyl)amino]carbothioyl}amino)-3-thiophenecarboxylate
SpectraBase Compound ID JAmTykZcr0v
InChI InChI=1S/C22H21ClN2O2S2/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 PXNNNRWSSPKIEK-UHFFFAOYSA-N
Mol Weight 445.0 g/mol
Molecular Formula C22H21ClN2O2S2
Exact Mass 444.073298 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID yloOUigwFz
Name ethyl 5-benzyl-2-({[(4-chlorobenzyl)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/C22H21ClN2O2S2/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 PXNNNRWSSPKIEK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7913
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/1269686; Labnumber: COL6415; UZI_ID: UZI-007915
Temperature 318 °C