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8-(4-Chloranylphenoxy)-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione

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

8-(4-Chloranylphenoxy)-1,3-dimethyl-7-(3-methylbutyl)purine-2,6-dione
SpectraBase Compound ID 5olCHeKBeCC
InChI InChI=1S/C18H21ClN4O3/c1-11(2)9-10-23-14-15(21(3)18(25)22(4)16(14)24)20-17(23)26-13-7-5-12(19)6-8-13/h5-8,11H,9-10H2,1-4H3
InChIKey CNHNKXBHSVEPNE-UHFFFAOYSA-N
Mol Weight 376.84 g/mol
Molecular Formula C18H21ClN4O3
Exact Mass 376.130218 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LK9WaeYPa2L
Name 8-(4-chlorophenoxy)-7-isopentyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.130218249 u
Formula C18H21ClN4O3
InChI InChI=1S/C18H21ClN4O3/c1-11(2)9-10-23-14-15(21(3)18(25)22(4)16(14)24)20-17(23)26-13-7-5-12(19)6-8-13/h5-8,11H,9-10H2,1-4H3
InChIKey CNHNKXBHSVEPNE-UHFFFAOYSA-N
Molecular Weight 376.844 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_8769
Solvent DMSO-d6
Source Vendor ID: NMR/13228048