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7-[2-(1-adamantyl)-2-oxoethyl]-8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 7XbxyXbOIBk
InChI InChI=1S/C19H23BrN4O3/c1-22-15-14(16(26)23(2)18(22)27)24(17(20)21-15)9-13(25)19-6-10-3-11(7-19)5-12(4-10)8-19/h10-12H,3-9H2,1-2H3/t10-,11+,12-,19-
InChIKey RCTGQNOBUGGHNN-RDLDAJNDSA-N
Mol Weight 435.32 g/mol
Molecular Formula C19H23BrN4O3
Exact Mass 434.095354 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BNyGXsQvpL
Name 7-[2-(1-adamantyl)-2-oxoethyl]-8-bromo-1,3-dimethyl-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/C19H23BrN4O3/c1-22-15-14(16(26)23(2)18(22)27)24(17(20)21-15)9-13(25)19-6-10-3-11(7-19)5-12(4-10)8-19/h10-12H,3-9H2,1-2H3/t10-,11+,12-,19-
InChIKey RCTGQNOBUGGHNN-RDLDAJNDSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_13950
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: 200338; Labnumber: UHNC3-041; VK_ID: VK-013955
Temperature 308 °C