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4-{[(4-amino-6-hydroxy-2-pyrimidinyl)sulfanyl]methyl}benzonitrile
SpectraBase Compound ID KpEc5lUxi9V
InChI InChI=1S/C12H10N4OS/c13-6-8-1-3-9(4-2-8)7-18-12-15-10(14)5-11(17)16-12/h1-5H,7H2,(H3,14,15,16,17)
InChIKey HFAJTLULPCTUHP-UHFFFAOYSA-N
Mol Weight 258.3 g/mol
Molecular Formula C12H10N4OS
Exact Mass 258.057532 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CSIH6XFmYWD
Name 4-{[(4-amino-6-hydroxy-2-pyrimidinyl)sulfanyl]methyl}benzonitrile
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/C12H10N4OS/c13-6-8-1-3-9(4-2-8)7-18-12-15-10(14)5-11(17)16-12/h1-5H,7H2,(H3,14,15,16,17)
InChIKey HFAJTLULPCTUHP-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2961
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: D06282; Labnumber: IVUSH-0001; SBI_ID: SBI-002963
Temperature 315 °C