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methyl 5-methyl-2-[({4-[(2E)-3-phenyl-2-propenyl]-1-piperazinyl}carbothioyl)amino]-3-thiophenecarboxylate
SpectraBase Compound ID 2oc2aoH8Pir
InChI InChI=1S/C21H25N3O2S2/c1-16-15-18(20(25)26-2)19(28-16)22-21(27)24-13-11-23(12-14-24)10-6-9-17-7-4-3-5-8-17/h3-9,15H,10-14H2,1-2H3,(H,22,27)/b9-6+
InChIKey XDFYTPJYWNEKRJ-RMKNXTFCSA-N
Mol Weight 415.57 g/mol
Molecular Formula C21H25N3O2S2
Exact Mass 415.138819 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3a3YS602w0x
Name methyl 5-methyl-2-[({4-[(2E)-3-phenyl-2-propenyl]-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/C21H25N3O2S2/c1-16-15-18(20(25)26-2)19(28-16)22-21(27)24-13-11-23(12-14-24)10-6-9-17-7-4-3-5-8-17/h3-9,15H,10-14H2,1-2H3,(H,22,27)/b9-6+
InChIKey XDFYTPJYWNEKRJ-RMKNXTFCSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7385
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/1270146; Labnumber: COL4953; UZI_ID: UZI-007387
Synonyms methyl 5-methyl-2-[({4-[3-phenyl-2-propenyl]-1-piperazinyl}carbothioyl)amino]-3-thiophenecarboxylate
Temperature 318 °C