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ADENIN-9-YLACETIC_ACID

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ADENIN-9-YLACETIC_ACID
SpectraBase Compound ID ZAoz32f9tL
InChI InChI=1S/C7H7N5O2/c8-6-5-7(10-2-9-6)12(3-11-5)1-4(13)14/h2-3H,1H2,(H,13,14)(H2,8,9,10)
InChIKey HHVNWGFYTKKIJO-UHFFFAOYSA-N
Mol Weight 193.17 g/mol
Molecular Formula C7H7N5O2
Exact Mass 193.059974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BQMAgKcZ1aK
Name ADENIN-9-YLACETIC_ACID
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H7N5O2
InChI InChI=1S/C7H7N5O2/c8-6-5-7(10-2-9-6)12(3-11-5)1-4(13)14/h2-3H,1H2,(H,13,14)(H2,8,9,10)
InChIKey HHVNWGFYTKKIJO-UHFFFAOYSA-N
Literature Reference Author C.SAINTOME,P.CLIVIO,A.FAVRE,J.L.FOURREY
Literature Reference Citation J.ORG.CHEM.,62,8125(1997)
Literature Reference DOI 10.1021/jo971162p
Molecular Weight 193.165 g/mol
Solvent D2O
Source File Reference UWMZ4330