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acetamide, 2-[[4-cyano-3-[[2-oxo-2-(phenylamino)ethyl]thio]-5-isothiazolyl]thio]-N-phenyl-
SpectraBase Compound ID 5u2uSnmqNmb
InChI InChI=1S/C20H16N4O2S3/c21-11-16-19(27-12-17(25)22-14-7-3-1-4-8-14)24-29-20(16)28-13-18(26)23-15-9-5-2-6-10-15/h1-10H,12-13H2,(H,22,25)(H,23,26)
InChIKey QYNJYFBJDDPFNK-UHFFFAOYSA-N
Mol Weight 440.55 g/mol
Molecular Formula C20H16N4O2S3
Exact Mass 440.043539 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID PVTUwPUjd6
Name acetamide, 2-[[4-cyano-3-[[2-oxo-2-(phenylamino)ethyl]thio]-5-isothiazolyl]thio]-N-phenyl-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H16N4O2S3/c21-11-16-19(27-12-17(25)22-14-7-3-1-4-8-14)24-29-20(16)28-13-18(26)23-15-9-5-2-6-10-15/h1-10H,12-13H2,(H,22,25)(H,23,26)
InChIKey QYNJYFBJDDPFNK-UHFFFAOYSA-N
NMR Offset 14.638
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_6610
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: TSH/5633092; IOH_ID: IOH-013614
Temperature 297 °C