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1-{[5-(3-nitrophenyl)-2-furyl]carbothioyl}-4-[3-(trifluoromethyl)phenyl]piperazine
SpectraBase Compound ID 7x2iSzjOiv6
InChI InChI=1S/C22H18F3N3O3S/c23-22(24,25)16-4-2-5-17(14-16)26-9-11-27(12-10-26)21(32)20-8-7-19(31-20)15-3-1-6-18(13-15)28(29)30/h1-8,13-14H,9-12H2
InChIKey AMWULRNJUSBAKF-UHFFFAOYSA-N
Mol Weight 461.46 g/mol
Molecular Formula C22H18F3N3O3S
Exact Mass 461.102097 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LiIVH5LqUVM
Name 1-{[5-(3-nitrophenyl)-2-furyl]carbothioyl}-4-[3-(trifluoromethyl)phenyl]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/C22H18F3N3O3S/c23-22(24,25)16-4-2-5-17(14-16)26-9-11-27(12-10-26)21(32)20-8-7-19(31-20)15-3-1-6-18(13-15)28(29)30/h1-8,13-14H,9-12H2
InChIKey AMWULRNJUSBAKF-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21063
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: D51729; Labnumber: VLMF-0025; SBI_ID: SBI-021067
Temperature 308 °C