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1-[(3-chloro-6-nitro-1-benzothien-2-yl)carbonyl]-4-[(2E)-3-(2-fluorophenyl)-2-propenoyl]piperazine
SpectraBase Compound ID 7lQXgpUr2qk
InChI InChI=1S/C22H17ClFN3O4S/c23-20-16-7-6-15(27(30)31)13-18(16)32-21(20)22(29)26-11-9-25(10-12-26)19(28)8-5-14-3-1-2-4-17(14)24/h1-8,13H,9-12H2/b8-5+
InChIKey BEPAXBRZUKSDIU-VMPITWQZSA-N
Mol Weight 473.91 g/mol
Molecular Formula C22H17ClFN3O4S
Exact Mass 473.061233 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IBVR5NjJo6w
Name 1-[(3-chloro-6-nitro-1-benzothien-2-yl)carbonyl]-4-[(2E)-3-(2-fluorophenyl)-2-propenoyl]piperazine
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/C22H17ClFN3O4S/c23-20-16-7-6-15(27(30)31)13-18(16)32-21(20)22(29)26-11-9-25(10-12-26)19(28)8-5-14-3-1-2-4-17(14)24/h1-8,13H,9-12H2/b8-5+
InChIKey BEPAXBRZUKSDIU-VMPITWQZSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6914
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/1267375; Labnumber: COL3711; UZI_ID: UZI-006916
Synonyms 1-[(3-chloro-6-nitro-1-benzothien-2-yl)carbonyl]-4-[3-(2-fluorophenyl)-2-propenoyl]piperazine
Temperature 318 °C