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methyl 4-[(7H-purin-6-ylsulfanyl)methyl]phenyl ether

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methyl 4-[(7H-purin-6-ylsulfanyl)methyl]phenyl ether
SpectraBase Compound ID J2VKDgcJCHD
InChI InChI=1S/C13H12N4OS/c1-18-10-4-2-9(3-5-10)6-19-13-11-12(15-7-14-11)16-8-17-13/h2-5,7-8H,6H2,1H3,(H,14,15,16,17)
InChIKey HRSGHLQOMVWURP-UHFFFAOYSA-N
Mol Weight 272.33 g/mol
Molecular Formula C13H12N4OS
Exact Mass 272.073182 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6L6VJGXhVAf
Name methyl 4-[(7H-purin-6-ylsulfanyl)methyl]phenyl ether
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/C13H12N4OS/c1-18-10-4-2-9(3-5-10)6-19-13-11-12(15-7-14-11)16-8-17-13/h2-5,7-8H,6H2,1H3,(H,14,15,16,17)
InChIKey HRSGHLQOMVWURP-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_1811
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/8221322; Labnumber: LP-2180351; IOH_ID: IOH-001812
Synonyms 6-[(4-methoxybenzyl)sulfanyl]-7H-purine
Temperature 297 °C