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2-[(4,6-diamino-2-pyrimidinyl)sulfanyl]-1-phenylethanone
SpectraBase Compound ID 93MoSbmiPjA
InChI InChI=1S/C12H12N4OS/c13-10-6-11(14)16-12(15-10)18-7-9(17)8-4-2-1-3-5-8/h1-6H,7H2,(H4,13,14,15,16)
InChIKey RKUVLNONDAQMDT-UHFFFAOYSA-N
Mol Weight 260.31 g/mol
Molecular Formula C12H12N4OS
Exact Mass 260.073182 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 25W0p2My9Ay
Name 2-[(4,6-diamino-2-pyrimidinyl)sulfanyl]-1-phenylethanone
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/C12H12N4OS/c13-10-6-11(14)16-12(15-10)18-7-9(17)8-4-2-1-3-5-8/h1-6H,7H2,(H4,13,14,15,16)
InChIKey RKUVLNONDAQMDT-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20746
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: UZI/9312780; UBI_ID: UBI-020750
Temperature 313 °C