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propanamide, N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(9H-purin-6-ylthio)-
SpectraBase Compound ID FAddbmVNdHD
InChI InChI=1S/C18H17ClN6OS/c1-10(27-18-15-16(23-8-22-15)24-9-25-18)17(26)20-5-4-11-7-21-14-3-2-12(19)6-13(11)14/h2-3,6-10,21H,4-5H2,1H3,(H,20,26)(H,22,23,24,25)
InChIKey MODUELXDPWJJPS-UHFFFAOYSA-N
Mol Weight 400.89 g/mol
Molecular Formula C18H17ClN6OS
Exact Mass 400.087308 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1fPmev2iLUV
Name propanamide, N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(9H-purin-6-ylthio)-
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/C18H17ClN6OS/c1-10(27-18-15-16(23-8-22-15)24-9-25-18)17(26)20-5-4-11-7-21-14-3-2-12(19)6-13(11)14/h2-3,6-10,21H,4-5H2,1H3,(H,20,26)(H,22,23,24,25)
InChIKey MODUELXDPWJJPS-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_4000
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: F19685; Labnumber: ExLab-N0468-0009