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7-(2-chloro-6-fluorobenzyl)-8-(isopentylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

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7-(2-chloro-6-fluorobenzyl)-8-(isopentylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 1n7JcwhqY9f
InChI InChI=1S/C19H23ClFN5O2/c1-11(2)8-9-22-18-23-16-15(17(27)25(4)19(28)24(16)3)26(18)10-12-13(20)6-5-7-14(12)21/h5-7,11H,8-10H2,1-4H3,(H,22,23)
InChIKey QEXMSNZZAYNEJW-UHFFFAOYSA-N
Mol Weight 407.88 g/mol
Molecular Formula C19H23ClFN5O2
Exact Mass 407.152431 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1Kx1SgtJHbj
Name 7-(2-chloro-6-fluorobenzyl)-8-(isopentylamino)-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/C19H23ClFN5O2/c1-11(2)8-9-22-18-23-16-15(17(27)25(4)19(28)24(16)3)26(18)10-12-13(20)6-5-7-14(12)21/h5-7,11H,8-10H2,1-4H3,(H,22,23)
InChIKey QEXMSNZZAYNEJW-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25703
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: D60585; Labnumber: LRP02-0682; SBI_ID: SBI-025707
Temperature 308 °C