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ethanediamide, N~1~-[4-(2-benzothiazolyl)phenyl]-N~2~-[3-(1H-imidazol-1-yl)propyl]-
SpectraBase Compound ID LSTG5N02yBT
InChI InChI=1S/C21H19N5O2S/c27-19(23-10-3-12-26-13-11-22-14-26)20(28)24-16-8-6-15(7-9-16)21-25-17-4-1-2-5-18(17)29-21/h1-2,4-9,11,13-14H,3,10,12H2,(H,23,27)(H,24,28)
InChIKey BCXCMIJKYBFIRS-UHFFFAOYSA-N
Mol Weight 405.48 g/mol
Molecular Formula C21H19N5O2S
Exact Mass 405.125946 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F12Cu2FQBlc
Name ethanediamide, N~1~-[4-(2-benzothiazolyl)phenyl]-N~2~-[3-(1H-imidazol-1-yl)propyl]-
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/C21H19N5O2S/c27-19(23-10-3-12-26-13-11-22-14-26)20(28)24-16-8-6-15(7-9-16)21-25-17-4-1-2-5-18(17)29-21/h1-2,4-9,11,13-14H,3,10,12H2,(H,23,27)(H,24,28)
InChIKey BCXCMIJKYBFIRS-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_10777
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: F38365; Labnumber: NNA-V-31564