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8-Bromanyl-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione
SpectraBase Compound ID E3PCPYw0rHs
InChI InChI=1S/C14H13BrN4O3/c1-18-11-10(12(20)17-14(18)21)19(13(15)16-11)7-8-22-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,17,20,21)
InChIKey XAKQLGCDOVDUBM-UHFFFAOYSA-N
Mol Weight 365.19 g/mol
Molecular Formula C14H13BrN4O3
Exact Mass 364.017103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Ftc7iKtxhH
Name 8-Bromanyl-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13BrN4O3
InChI InChI=1S/C14H13BrN4O3/c1-18-11-10(12(20)17-14(18)21)19(13(15)16-11)7-8-22-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,17,20,21)
InChIKey XAKQLGCDOVDUBM-UHFFFAOYSA-N
Molecular Weight 365.187 g/mol
SMILES N1C(c2[n](c(nc2N(C1=O)C)Br)CCOc1ccccc1)=O
SPLASH splash10-00fu-9631000000-c7a9f2f19ecd71f495e6
Source of Spectrum HC-20-926-0
Synonyms 8-Bromo-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione 8-Bromo-3-methyl-7-(2-phenoxyethyl)xanthine
Wiley ID 1350493