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1-(2,4-dichlorobenzyl)-8-[(3-isopropoxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 7jTii0vmf7o
InChI InChI=1S/C20H25Cl2N5O3/c1-12(2)30-9-5-8-23-19-24-17-16(25(19)3)18(28)27(20(29)26(17)4)11-13-6-7-14(21)10-15(13)22/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,23,24)
InChIKey RLGAAIHGWDHKKL-UHFFFAOYSA-N
Mol Weight 454.36 g/mol
Molecular Formula C20H25Cl2N5O3
Exact Mass 453.133445 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4wIWPwvDghh
Name 1-(2,4-dichlorobenzyl)-8-[(3-isopropoxypropyl)amino]-3,7-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/C20H25Cl2N5O3/c1-12(2)30-9-5-8-23-19-24-17-16(25(19)3)18(28)27(20(29)26(17)4)11-13-6-7-14(21)10-15(13)22/h6-7,10,12H,5,8-9,11H2,1-4H3,(H,23,24)
InChIKey RLGAAIHGWDHKKL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29053
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: D90866; Labnumber: LRP02-0990; SBI_ID: SBI-029057
Temperature 308 °C