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8-[(2-chlorobenzyl)sulfanyl]-9H-purin-6-ylamine

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

8-[(2-chlorobenzyl)sulfanyl]-9H-purin-6-ylamine
SpectraBase Compound ID KQZ4jdMUDgh
InChI InChI=1S/C12H10ClN5S/c13-8-4-2-1-3-7(8)5-19-12-17-9-10(14)15-6-16-11(9)18-12/h1-4,6H,5H2,(H3,14,15,16,17,18)
InChIKey IDRHDKGNUNKODU-UHFFFAOYSA-N
Mol Weight 291.76 g/mol
Molecular Formula C12H10ClN5S
Exact Mass 291.034544 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1imwBqT3x5L
Name 8-[(2-chlorobenzyl)sulfanyl]-9H-purin-6-ylamine
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/C12H10ClN5S/c13-8-4-2-1-3-7(8)5-19-12-17-9-10(14)15-6-16-11(9)18-12/h1-4,6H,5H2,(H3,14,15,16,17,18)
InChIKey IDRHDKGNUNKODU-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3175
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/9312057; Labnumber: JSA-0000059