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1,4-benzenedicarboxylic acid, 2-[(1-piperidinylcarbonothioyl)amino]-, dimethyl ester
SpectraBase Compound ID 4KyY9yigJ4F
InChI InChI=1S/C16H20N2O4S/c1-21-14(19)11-6-7-12(15(20)22-2)13(10-11)17-16(23)18-8-4-3-5-9-18/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,23)
InChIKey GFNBQEKONMOENK-UHFFFAOYSA-N
Mol Weight 336.41 g/mol
Molecular Formula C16H20N2O4S
Exact Mass 336.114378 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4V9FpogPRR
Name 1,4-benzenedicarboxylic acid, 2-[(1-piperidinylcarbonothioyl)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 336.114378302 u
Formula C16H20N2O4S
InChI InChI=1S/C16H20N2O4S/c1-21-14(19)11-6-7-12(15(20)22-2)13(10-11)17-16(23)18-8-4-3-5-9-18/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,23)
InChIKey GFNBQEKONMOENK-UHFFFAOYSA-N
Molecular Weight 336.406 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_1027
Solvent DMSO-d6
Source Vendor ID: NMR/13239612