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1,4-benzenedicarboxylic acid, 2-[[(4-phenyl-1-piperazinyl)carbonothioyl]amino]-, dimethyl ester
SpectraBase Compound ID Dn322k6BZeb
InChI InChI=1S/C21H23N3O4S/c1-27-19(25)15-8-9-17(20(26)28-2)18(14-15)22-21(29)24-12-10-23(11-13-24)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3,(H,22,29)
InChIKey BKBUVGGPIYGFHW-UHFFFAOYSA-N
Mol Weight 413.49 g/mol
Molecular Formula C21H23N3O4S
Exact Mass 413.140927 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GykP35bf1wU
Name 1,4-benzenedicarboxylic acid, 2-[[(4-phenyl-1-piperazinyl)carbonothioyl]amino]-, dimethyl 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 413.140927403 u
Formula C21H23N3O4S
InChI InChI=1S/C21H23N3O4S/c1-27-19(25)15-8-9-17(20(26)28-2)18(14-15)22-21(29)24-12-10-23(11-13-24)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3,(H,22,29)
InChIKey BKBUVGGPIYGFHW-UHFFFAOYSA-N
Molecular Weight 413.492 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_1020
Solvent DMSO-d6
Source Vendor ID: NMR/13239605