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N-{(E)-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}tetrahydro-3-thiophenamine 1,1-dioxide
SpectraBase Compound ID BMMzkymMU90
InChI InChI=1S/C20H18ClN3O2S/c21-17-8-6-15(7-9-17)20-16(12-22-18-10-11-27(25,26)14-18)13-24(23-20)19-4-2-1-3-5-19/h1-9,12-13,18H,10-11,14H2/b22-12+
InChIKey STVGUHIUFXFTNG-WSDLNYQXSA-N
Mol Weight 399.9 g/mol
Molecular Formula C20H18ClN3O2S
Exact Mass 399.080826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kcbr6VHGGPD
Name N-{(E)-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}tetrahydro-3-thiophenamine 1,1-dioxide
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/C20H18ClN3O2S/c21-17-8-6-15(7-9-17)20-16(12-22-18-10-11-27(25,26)14-18)13-24(23-20)19-4-2-1-3-5-19/h1-9,12-13,18H,10-11,14H2/b22-12+
InChIKey STVGUHIUFXFTNG-WSDLNYQXSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_877
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: 142137; Labnumber: EX00133244; VK_ID: VK-000878
Synonyms N-{(E)-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-N-(1,1-dioxidotetrahydro-3-thienyl)amineN-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}tetrahydro-3-thiophenamine 1,1-dioxide
Temperature 308 °C