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benzoic acid, 4-[[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]carbonothioyl]amino]-, methyl ester
SpectraBase Compound ID Go1zZrkoJuO
InChI InChI=1S/C19H19F3N4O2S/c1-28-17(27)13-2-5-15(6-3-13)24-18(29)26-10-8-25(9-11-26)16-7-4-14(12-23-16)19(20,21)22/h2-7,12H,8-11H2,1H3,(H,24,29)
InChIKey GJBSNLWTZJULFD-UHFFFAOYSA-N
Mol Weight 424.44 g/mol
Molecular Formula C19H19F3N4O2S
Exact Mass 424.118082 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 64lWzGNM00s
Name benzoic acid, 4-[[[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]carbonothioyl]amino]-, methyl ester
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/C19H19F3N4O2S/c1-28-17(27)13-2-5-15(6-3-13)24-18(29)26-10-8-25(9-11-26)16-7-4-14(12-23-16)19(20,21)22/h2-7,12H,8-11H2,1H3,(H,24,29)
InChIKey GJBSNLWTZJULFD-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9678
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: F36111; Labnumber: NNA-V-24912