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ethyl 4-({[(6-methyl-2-pyridinyl)amino]carbothioyl}amino)benzoate
SpectraBase Compound ID 1nrjW60FpJf
InChI InChI=1S/C16H17N3O2S/c1-3-21-15(20)12-7-9-13(10-8-12)18-16(22)19-14-6-4-5-11(2)17-14/h4-10H,3H2,1-2H3,(H2,17,18,19,22)
InChIKey BWYMAOHZBZWWMR-UHFFFAOYSA-N
Mol Weight 315.39 g/mol
Molecular Formula C16H17N3O2S
Exact Mass 315.104148 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8hfahicj6Op
Name ethyl 4-({[(6-methyl-2-pyridinyl)amino]carbothioyl}amino)benzoate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 315.104147971 u
Formula C16H17N3O2S
InChI InChI=1S/C16H17N3O2S/c1-3-21-15(20)12-7-9-13(10-8-12)18-16(22)19-14-6-4-5-11(2)17-14/h4-10H,3H2,1-2H3,(H2,17,18,19,22)
InChIKey BWYMAOHZBZWWMR-UHFFFAOYSA-N
Molecular Weight 315.391 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4366
Solvent DMSO-d6
Source Vendor ID: NMR/12309215