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6-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-9H-purine

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6-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-9H-purine
SpectraBase Compound ID 3fFrqPfdtc7
InChI InChI=1S/C11H13N5O2S/c17-8(16-1-3-18-4-2-16)5-19-11-9-10(13-6-12-9)14-7-15-11/h6-7H,1-5H2,(H,12,13,14,15)
InChIKey SKJBAPLAPXJGJG-UHFFFAOYSA-N
Mol Weight 279.32 g/mol
Molecular Formula C11H13N5O2S
Exact Mass 279.078996 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EfbrGOhcNpV
Name 6-{[2-(4-morpholinyl)-2-oxoethyl]sulfanyl}-9H-purine
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/C11H13N5O2S/c17-8(16-1-3-18-4-2-16)5-19-11-9-10(13-6-12-9)14-7-15-11/h6-7H,1-5H2,(H,12,13,14,15)
InChIKey SKJBAPLAPXJGJG-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_931
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: NMR/8253005; Labnumber: LP-2180587; IOH_ID: IOH-000932
Synonyms 2-(4-morpholinyl)-2-oxoethyl 9H-purin-6-yl sulfide
Temperature 303 °C