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8-Butyl-9-(2-hydroxyethyl)-1-methyl-3H-purine-2,6-dione
SpectraBase Compound ID EHzVBdlzqzQ
InChI InChI=1S/C12H18N4O3/c1-3-4-5-8-13-9-10(16(8)6-7-17)14-12(19)15(2)11(9)18/h17H,3-7H2,1-2H3,(H,14,19)
InChIKey QQDKDDMDUHIALV-UHFFFAOYSA-N
Mol Weight 266.3 g/mol
Molecular Formula C12H18N4O3
Exact Mass 266.13789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDtE4LTtJeR
Name 8-Butyl-9-(2-hydroxyethyl)-1-methyl-3H-purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18N4O3
InChI InChI=1S/C12H18N4O3/c1-3-4-5-8-13-9-10(16(8)6-7-17)14-12(19)15(2)11(9)18/h17H,3-7H2,1-2H3,(H,14,19)
InChIKey QQDKDDMDUHIALV-UHFFFAOYSA-N
Molecular Weight 266.301 g/mol
SMILES N1C(N(C(c2c1[n](CCO)c(n2)CCCC)=O)C)=O
SPLASH splash10-00si-0980000000-aa6bd08bff7a4898a33b
Source of Spectrum G-63-414-4
Synonyms 8-Butyl-9-(2-hydroxyethyl)-1-methyl-xanthine
Wiley ID 749410