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7-{2,3-bis[(2-chloro-6-fluorobenzyl)oxy]propyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID DwhZmghzfTz
InChI InChI=1S/C24H22Cl2F2N4O4/c1-30-22-21(23(33)31(2)24(30)34)32(13-29-22)9-14(36-12-16-18(26)6-4-8-20(16)28)10-35-11-15-17(25)5-3-7-19(15)27/h3-8,13-14H,9-12H2,1-2H3
InChIKey RTZBOIBWMZZHCG-UHFFFAOYSA-N
Mol Weight 539.37 g/mol
Molecular Formula C24H22Cl2F2N4O4
Exact Mass 538.098617 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FcM9keiE3cA
Name 7-{2,3-bis[(2-chloro-6-fluorobenzyl)oxy]propyl}-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/C24H22Cl2F2N4O4/c1-30-22-21(23(33)31(2)24(30)34)32(13-29-22)9-14(36-12-16-18(26)6-4-8-20(16)28)10-35-11-15-17(25)5-3-7-19(15)27/h3-8,13-14H,9-12H2,1-2H3
InChIKey RTZBOIBWMZZHCG-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_13349
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: 102118; Labnumber: LRP-1059; VK_ID: VK-013354
Temperature 315 °C