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1-(5,6-dihydroxyhexyl)-3,7-dimethyl-purine-2,6-dione
SpectraBase Compound ID FwvYweZdJHD
InChI InChI=1S/C13H20N4O4/c1-15-8-14-11-10(15)12(20)17(13(21)16(11)2)6-4-3-5-9(19)7-18/h8-9,18-19H,3-7H2,1-2H3
InChIKey XMTDKFOBRLKELE-UHFFFAOYSA-N
Mol Weight 296.33 g/mol
Molecular Formula C13H20N4O4
Exact Mass 296.148455 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5n5b5kZXjMI
Name 1-(5,6-dihydroxyhexyl)-3,7-dimethyl-purine-2,6-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20N4O4
InChI InChI=1S/C13H20N4O4/c1-15-8-14-11-10(15)12(20)17(13(21)16(11)2)6-4-3-5-9(19)7-18/h8-9,18-19H,3-7H2,1-2H3
InChIKey XMTDKFOBRLKELE-UHFFFAOYSA-N
Molecular Weight 296.327 g/mol
SMILES OC(CO)CCCCN1C(N(c2c(C1=O)[n](C)cn2)C)=O
SPLASH splash10-001i-0930000000-c15ba6872be2f5e152ad
Source of Spectrum CJ-1992-0-0
Synonyms 1-(5,6-dihydroxyhexyl)-3,7-dimethyl-xanthine 1-[5,6-bis(oxidanyl)hexyl]-3,7-dimethyl-purine-2,6-dione
Wiley ID 1298722