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[1-(3,3-Dimethyl-2,4-dioxabicyclo[4.2.0]octyl)methyl]adenine
SpectraBase Compound ID 5QzL6cDng8E
InChI InChI=1S/C14H19N5O2/c1-13(2)20-6-8-3-4-14(8,21-13)5-9-18-11(15)10-12(19-9)17-7-16-10/h7-8H,3-6H2,1-2H3,(H3,15,16,17,18,19)
InChIKey ZDSPJAWGOPUCCO-UHFFFAOYSA-N
Mol Weight 289.34 g/mol
Molecular Formula C14H19N5O2
Exact Mass 289.153875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9mFoDFNZRM
Name [1-(3,3-Dimethyl-2,4-dioxabicyclo[4.2.0]octyl)methyl]adenine
Alternate Name(s) 2-[(3,3-dimethyl-2,4-dioxabicyclo[4.2.0]oct-1-yl)methyl]-7H-purin-6-amine 2-[(3,3-dimethyl-2,4-dioxabicyclo[4.2.0]oct-1-yl)methyl]-7H-purin-6-ylamine
Comments Less than 3 mono-isotopic peaks
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Formula C14H19N5O2
InChI InChI=1S/C14H19N5O2/c1-13(2)20-6-8-3-4-14(8,21-13)5-9-18-11(15)10-12(19-9)17-7-16-10/h7-8H,3-6H2,1-2H3,(H3,15,16,17,18,19)
InChIKey ZDSPJAWGOPUCCO-UHFFFAOYSA-N
Molecular Weight 289.339 g/mol
SMILES Nc1nc(nc2c1[nH]cn2)CC12OC(OCC2CC1)(C)C
SPLASH splash10-0a4i-9010000000-386e75de72f5297ba0f8
Source of Spectrum J-65-5183-44
Wiley ID 1533023