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2-amino-4-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-6-(methylsulfanyl)-5-pyrimidinecarbonitrile
SpectraBase Compound ID 42KoIGhauXs
InChI InChI=1S/C15H12N4O3S2/c1-23-13-9(5-16)14(19-15(17)18-13)24-6-10(20)8-2-3-11-12(4-8)22-7-21-11/h2-4H,6-7H2,1H3,(H2,17,18,19)
InChIKey FCUWWYJELRALIL-UHFFFAOYSA-N
Mol Weight 360.41 g/mol
Molecular Formula C15H12N4O3S2
Exact Mass 360.035083 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GY3xlUfiyzm
Name 2-amino-4-{[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-6-(methylsulfanyl)-5-pyrimidinecarbonitrile
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/C15H12N4O3S2/c1-23-13-9(5-16)14(19-15(17)18-13)24-6-10(20)8-2-3-11-12(4-8)22-7-21-11/h2-4H,6-7H2,1H3,(H2,17,18,19)
InChIKey FCUWWYJELRALIL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9927
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: 132538; Labnumber: SHES1-088; VK_ID: VK-009931
Temperature 318 °C