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methyl 5-methyl-2-({[4-(4-nitrophenyl)-1-piperazinyl]carbothioyl}amino)-3-thiophenecarboxylate
SpectraBase Compound ID 9cOCG8SBQa5
InChI InChI=1S/C18H20N4O4S2/c1-12-11-15(17(23)26-2)16(28-12)19-18(27)21-9-7-20(8-10-21)13-3-5-14(6-4-13)22(24)25/h3-6,11H,7-10H2,1-2H3,(H,19,27)
InChIKey ITJBCSIIBPYUSW-UHFFFAOYSA-N
Mol Weight 420.5 g/mol
Molecular Formula C18H20N4O4S2
Exact Mass 420.092597 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DVppJNm664a
Name methyl 5-methyl-2-({[4-(4-nitrophenyl)-1-piperazinyl]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/C18H20N4O4S2/c1-12-11-15(17(23)26-2)16(28-12)19-18(27)21-9-7-20(8-10-21)13-3-5-14(6-4-13)22(24)25/h3-6,11H,7-10H2,1-2H3,(H,19,27)
InChIKey ITJBCSIIBPYUSW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7375
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/1269674; Labnumber: COL4936; UZI_ID: UZI-007377
Temperature 318 °C