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benzoic acid, 2-[[[4-(2-pyridinyl)-1-piperazinyl]carbonothioyl]amino]-, methyl ester
SpectraBase Compound ID CCfN22tHl3s
InChI InChI=1S/C18H20N4O2S/c1-24-17(23)14-6-2-3-7-15(14)20-18(25)22-12-10-21(11-13-22)16-8-4-5-9-19-16/h2-9H,10-13H2,1H3,(H,20,25)
InChIKey PEFKRLQYDZAHLY-UHFFFAOYSA-N
Mol Weight 356.44 g/mol
Molecular Formula C18H20N4O2S
Exact Mass 356.130697 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5KWzPFrKqKU
Name benzoic acid, 2-[[[4-(2-pyridinyl)-1-piperazinyl]carbonothioyl]amino]-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.130697072 u
Formula C18H20N4O2S
InChI InChI=1S/C18H20N4O2S/c1-24-17(23)14-6-2-3-7-15(14)20-18(25)22-12-10-21(11-13-22)16-8-4-5-9-19-16/h2-9H,10-13H2,1H3,(H,20,25)
InChIKey PEFKRLQYDZAHLY-UHFFFAOYSA-N
Molecular Weight 356.444 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_1033
Solvent DMSO-d6
Source Vendor ID: NMR/13239618