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6-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-9H-purine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

6-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-9H-purine
SpectraBase Compound ID HSWaZNIgj4N
InChI InChI=1S/C13H10N4O2S/c1-2-9-10(19-7-18-9)3-8(1)4-20-13-11-12(15-5-14-11)16-6-17-13/h1-3,5-6H,4,7H2,(H,14,15,16,17)
InChIKey KRBFLOBPUMORJO-UHFFFAOYSA-N
Mol Weight 286.31 g/mol
Molecular Formula C13H10N4O2S
Exact Mass 286.052447 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID WayMsZBj6z
Name 6-[(1,3-benzodioxol-5-ylmethyl)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/C13H10N4O2S/c1-2-9-10(19-7-18-9)3-8(1)4-20-13-11-12(15-5-14-11)16-6-17-13/h1-3,5-6H,4,7H2,(H,14,15,16,17)
InChIKey KRBFLOBPUMORJO-UHFFFAOYSA-N
NMR Offset 14.7616
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_ASIOH_7000_809
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/8305961; Labnumber: LP-2180932; IOH_ID: IOH-000810
Synonyms 1,3-benzodioxol-5-ylmethyl 9H-purin-6-yl sulfide
Temperature 297 °C