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Pentoxifylline-M (OH) AC
SpectraBase Compound ID HSzCjtjzFCj
InChI InChI=1S/C15H22N4O4/c1-10(23-11(2)20)7-5-6-8-19-14(21)12-13(16-9-17(12)3)18(4)15(19)22/h9-10H,5-8H2,1-4H3
InChIKey NLTCMPQBQCXKHK-UHFFFAOYSA-N
Mol Weight 322.37 g/mol
Molecular Formula C15H22N4O4
Exact Mass 322.164105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COJfUCOWOM6
Name 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl acetate
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Formula C15H22N4O4
InChI InChI=1S/C15H22N4O4/c1-10(23-11(2)20)7-5-6-8-19-14(21)12-13(16-9-17(12)3)18(4)15(19)22/h9-10H,5-8H2,1-4H3
InChIKey NLTCMPQBQCXKHK-UHFFFAOYSA-N
Molecular Weight 322.365 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)CCCCC(OC(=O)C)C)[n](C)cn1
SPLASH splash10-001i-0920000000-89b126daef7d676f018a
Source of Spectrum CJ-1992-0-0
Synonyms 6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl ethanoate Acetic acid 6-(3,7-dimethyl-2,6-dioxo-1-purinyl)hexan-2-yl ester [5-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-1-methyl-pentyl] acetate
Wiley ID 1321460