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9-Butyl-1-methyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 7Iy6QIyVvLT
InChI InChI=1S/C16H18N4O2/c1-3-4-10-20-13(11-8-6-5-7-9-11)17-12-14(20)18-16(22)19(2)15(12)21/h5-9H,3-4,10H2,1-2H3,(H,18,22)
InChIKey RNZWTILXZREAFD-UHFFFAOYSA-N
Mol Weight 298.35 g/mol
Molecular Formula C16H18N4O2
Exact Mass 298.142976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8yn8B0jZQkK
Name 9-Butyl-1-methyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione
CAS Registry Number 61080-41-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N4O2
InChI InChI=1S/C16H18N4O2/c1-3-4-10-20-13(11-8-6-5-7-9-11)17-12-14(20)18-16(22)19(2)15(12)21/h5-9H,3-4,10H2,1-2H3,(H,18,22)
InChIKey RNZWTILXZREAFD-UHFFFAOYSA-N
Molecular Weight 298.346 g/mol
SMILES N1C(N(C(c2c1[n](c(n2)-c1ccccc1)CCCC)=O)C)=O
SPLASH splash10-0f6t-8960000000-a7e0f9366a2abbb45781
Source of Spectrum AD-0-2532-0
Synonyms 9-Butyl-1-methyl-8-phenyl-3H-purine-2,6-dione 9-Butyl-1-methyl-8-phenyl-xanthine 9H-Purine-2,6(1H,3H)-dione, 9-butyl-1-methyl-8-phenyl-
Wiley ID 1430476