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7-allyl-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

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7-allyl-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID Iz1dFvZvo0q
InChI InChI=1S/C12H16N4O2S/c1-4-6-16-8-9(13-12(16)19-7-5-2)15(3)11(18)14-10(8)17/h4H,1,5-7H2,2-3H3,(H,14,17,18)
InChIKey KIGASHRWENXMGH-UHFFFAOYSA-N
Mol Weight 280.35 g/mol
Molecular Formula C12H16N4O2S
Exact Mass 280.099397 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID uc7kuOrpEI
Name 7-allyl-3-methyl-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
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/C12H16N4O2S/c1-4-6-16-8-9(13-12(16)19-7-5-2)15(3)11(18)14-10(8)17/h4H,1,5-7H2,2-3H3,(H,14,17,18)
InChIKey KIGASHRWENXMGH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9206
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: S20634; Labnumber: UZ01F011-152; VK_ID: VK-009210
Temperature 318 °C