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1,4-benzenedicarboxylic acid, 2-[[(4-methyl-1-piperazinyl)carbonothioyl]amino]-, dimethyl ester
SpectraBase Compound ID 75Kc4LiLXhc
InChI InChI=1S/C16H21N3O4S/c1-18-6-8-19(9-7-18)16(24)17-13-10-11(14(20)22-2)4-5-12(13)15(21)23-3/h4-5,10H,6-9H2,1-3H3,(H,17,24)
InChIKey MJOUQLXHYGATDU-UHFFFAOYSA-N
Mol Weight 351.42 g/mol
Molecular Formula C16H21N3O4S
Exact Mass 351.125277 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8D3YmHvmeIw
Name 1,4-benzenedicarboxylic acid, 2-[[(4-methyl-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 351.125277338 u
Formula C16H21N3O4S
InChI InChI=1S/C16H21N3O4S/c1-18-6-8-19(9-7-18)16(24)17-13-10-11(14(20)22-2)4-5-12(13)15(21)23-3/h4-5,10H,6-9H2,1-3H3,(H,17,24)
InChIKey MJOUQLXHYGATDU-UHFFFAOYSA-N
Molecular Weight 351.421 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_1007
Solvent DMSO-d6
Source Vendor ID: NMR/13239591