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(3-Methyl-3H-purin-6-ylamino)-acetic acid
SpectraBase Compound ID AF0fKJ0nyjg
InChI InChI=1S/C8H9N5O2/c1-13-4-12-7(9-2-5(14)15)6-8(13)11-3-10-6/h3-4,9H,2H2,1H3,(H,14,15)
InChIKey KOQUCFVTNGHXSJ-UHFFFAOYSA-N
Mol Weight 207.19 g/mol
Molecular Formula C8H9N5O2
Exact Mass 207.075625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4CER0PWTJvb
Name (3-Methyl-3H-purin-6-ylamino)-acetic acid
Alternate Name(s) N(6)-[(Hydroxycarbonyl)ylmethyl]-N(3)-methyladenine
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Formula C8H9N5O2
InChI InChI=1S/C8H9N5O2/c1-13-4-12-7(9-2-5(14)15)6-8(13)11-3-10-6/h3-4,9H,2H2,1H3,(H,14,15)
InChIKey KOQUCFVTNGHXSJ-UHFFFAOYSA-N
Molecular Weight 207.193 g/mol
SMILES N(C1=C2C(N(C)C=N1)=NC=N2)CC(=O)O
SPLASH splash10-03z0-0910000000-82fc011e87da20739da1
Source of Spectrum CRT-4-103-III
Wiley ID 1709213