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7-(2-[1,1'-biphenyl]-4-yl-2-oxoethyl)-1,3-dimethyl-8-sulfanyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 5miIyUN37b0
InChI InChI=1S/C21H18N4O3S/c1-23-18-17(19(27)24(2)21(23)28)25(20(29)22-18)12-16(26)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,22,29)
InChIKey LBKDJLATXFEFOK-UHFFFAOYSA-N
Mol Weight 406.46 g/mol
Molecular Formula C21H18N4O3S
Exact Mass 406.109962 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hzh2PppmaLt
Name 7-(2-[1,1'-biphenyl]-4-yl-2-oxoethyl)-1,3-dimethyl-8-sulfanyl-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/C21H18N4O3S/c1-23-18-17(19(27)24(2)21(23)28)25(20(29)22-18)12-16(26)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,22,29)
InChIKey LBKDJLATXFEFOK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_17625
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: 987/00005869; Labnumber: 987/00005869218872; VK_ID: VK-017630
Temperature 318 °C