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1,3-dimethyl-8-(neopentylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 1 NMR

1,3-dimethyl-8-(neopentylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID KzxZw4fsIsr
InChI InChI=1S/C12H18N4O2S/c1-12(2,3)6-19-10-13-7-8(14-10)15(4)11(18)16(5)9(7)17/h6H2,1-5H3,(H,13,14)
InChIKey PCPGDOQAZOXDFW-UHFFFAOYSA-N
Mol Weight 282.36 g/mol
Molecular Formula C12H18N4O2S
Exact Mass 282.115047 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J6LkaqO1bbh
Name 1,3-dimethyl-8-(neopentylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C12H18N4O2S/c1-12(2,3)6-19-10-13-7-8(14-10)15(4)11(18)16(5)9(7)17/h6H2,1-5H3,(H,13,14)
InChIKey PCPGDOQAZOXDFW-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_17090
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: 987/00004915; Labnumber: 987/00004915218860; VK_ID: VK-017095
Temperature 308 °C