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propanamide, 3-[(2-chloro-9H-purin-6-yl)thio]-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-
SpectraBase Compound ID Is9POLCoH7M
InChI InChI=1S/C18H16ClN7O3S/c1-28-11-4-2-10(3-5-11)15-23-13(29-26-15)8-20-12(27)6-7-30-17-14-16(22-9-21-14)24-18(19)25-17/h2-5,9H,6-8H2,1H3,(H,20,27)(H,21,22,24,25)
InChIKey XSWCKSLNYIEWQB-UHFFFAOYSA-N
Mol Weight 445.89 g/mol
Molecular Formula C18H16ClN7O3S
Exact Mass 445.072386 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FJFLRgb2A7c
Name propanamide, 3-[(2-chloro-9H-purin-6-yl)thio]-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-
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/C18H16ClN7O3S/c1-28-11-4-2-10(3-5-11)15-23-13(29-26-15)8-20-12(27)6-7-30-17-14-16(22-9-21-14)24-18(19)25-17/h2-5,9H,6-8H2,1H3,(H,20,27)(H,21,22,24,25)
InChIKey XSWCKSLNYIEWQB-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_5374
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: F25069; Labnumber: ExLab-203428