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7-butyl-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

7-butyl-8-chloro-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID EmLmGFbEvKU
InChI InChI=1S/C11H15ClN4O2/c1-4-5-6-16-7-8(13-10(16)12)14(2)11(18)15(3)9(7)17/h4-6H2,1-3H3
InChIKey YGYJVWCTRPUMDI-UHFFFAOYSA-N
Mol Weight 270.72 g/mol
Molecular Formula C11H15ClN4O2
Exact Mass 270.088353 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CdP4XKDrw2p
Name 7-butyl-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/C11H15ClN4O2/c1-4-5-6-16-7-8(13-10(16)12)14(2)11(18)15(3)9(7)17/h4-6H2,1-3H3
InChIKey YGYJVWCTRPUMDI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_4981
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/10322015; Labnumber: 2675; IOH_ID: IOH-004982