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5-pyrimidinecarbonitrile, 4-amino-2-[[2-(1-methyl-1H-indol-3-yl)-2-oxoethyl]thio]-
SpectraBase Compound ID DtUx38G2Z1E
InChI InChI=1S/C16H13N5OS/c1-21-8-12(11-4-2-3-5-13(11)21)14(22)9-23-16-19-7-10(6-17)15(18)20-16/h2-5,7-8H,9H2,1H3,(H2,18,19,20)
InChIKey YITREYLFCVABFA-UHFFFAOYSA-N
Mol Weight 323.37 g/mol
Molecular Formula C16H13N5OS
Exact Mass 323.084081 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DEAiBdF7yTt
Name 5-pyrimidinecarbonitrile, 4-amino-2-[[2-(1-methyl-1H-indol-3-yl)-2-oxoethyl]thio]-
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/C16H13N5OS/c1-21-8-12(11-4-2-3-5-13(11)21)14(22)9-23-16-19-7-10(6-17)15(18)20-16/h2-5,7-8H,9H2,1H3,(H2,18,19,20)
InChIKey YITREYLFCVABFA-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_6383
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: F28423; Labnumber: ALEKS1-29047