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7-(4-tert-butylbenzyl)-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 1 NMR

7-(4-tert-butylbenzyl)-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 4giN8NFKL1z
InChI InChI=1S/C18H21ClN4O2/c1-18(2,3)12-8-6-11(7-9-12)10-23-13-14(20-16(23)19)21(4)17(25)22(5)15(13)24/h6-9H,10H2,1-5H3
InChIKey WILUNPHUPAIMRG-UHFFFAOYSA-N
Mol Weight 360.85 g/mol
Molecular Formula C18H21ClN4O2
Exact Mass 360.135304 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AJPSVKAuhXF
Name 7-(4-tert-butylbenzyl)-8-chloro-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/C18H21ClN4O2/c1-18(2,3)12-8-6-11(7-9-12)10-23-13-14(20-16(23)19)21(4)17(25)22(5)15(13)24/h6-9H,10H2,1-5H3
InChIKey WILUNPHUPAIMRG-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_2934
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: NMR/9301342; Labnumber: SAD-DAST984