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N(9)-Cyclobutyl-N(2)-isobutyrylguanine
SpectraBase Compound ID 4BPXsHx686I
InChI InChI=1S/C13H17N5O2/c1-7(2)11(19)16-13-15-10-9(12(20)17-13)14-6-18(10)8-4-3-5-8/h6-8H,3-5H2,1-2H3,(H2,15,16,17,19,20)
InChIKey JKKZFQHJJOHPJH-UHFFFAOYSA-N
Mol Weight 275.31 g/mol
Molecular Formula C13H17N5O2
Exact Mass 275.138225 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID y4tWALF5dk
Name N(9)-Cyclobutyl-N(2)-isobutyrylguanine
Alternate Name(s) N-(9-cyclobutyl-6-oxo-6,9-dihydro-1H-purin-2-yl)-2-methylpropanamide
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Formula C13H17N5O2
InChI InChI=1S/C13H17N5O2/c1-7(2)11(19)16-13-15-10-9(12(20)17-13)14-6-18(10)8-4-3-5-8/h6-8H,3-5H2,1-2H3,(H2,15,16,17,19,20)
InChIKey JKKZFQHJJOHPJH-UHFFFAOYSA-N
Molecular Weight 275.312 g/mol
SMILES N1C(c2c(N=C1NC(=O)C(C)C)[n](cn2)C1CCC1)=O
SPLASH splash10-056u-9570000000-57dcfc7931580b97a502
Source of Spectrum H-75-1952-17
Wiley ID 1278973