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1q8IGRMmtr6
spectrumID
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1q8IGRMmtr6
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1H NMR
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1H Nuclear Magnetic Resonance (NMR) Spectrum
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7-(4-chlorobenzyl)-1,3-dimethyl-8-[(4-methylbenzyl)amino]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID Dhw58e1Epho
InChI InChI=1S/C22H22ClN5O2/c1-14-4-6-15(7-5-14)12-24-21-25-19-18(20(29)27(3)22(30)26(19)2)28(21)13-16-8-10-17(23)11-9-16/h4-11H,12-13H2,1-3H3,(H,24,25)
InChIKey BZKJBPGGCRZFPS-UHFFFAOYSA-N
Mol Weight 423.9 g/mol
Molecular Formula C22H22ClN5O2
Exact Mass 423.146203 g/mol
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1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1q8IGRMmtr6
Name 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(4-methylbenzyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H22ClN5O2/c1-14-4-6-15(7-5-14)12-24-21-25-19-18(20(29)27(3)22(30)26(19)2)28(21)13-16-8-10-17(23)11-9-16/h4-11H,12-13H2,1-3H3,(H,24,25)
InChIKey BZKJBPGGCRZFPS-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20227
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: D16413; Labnumber: UZROM-3537; SBI_ID: SBI-020231
Temperature 315 °C
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