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N(9)-(2,3-Butadien-1-yl)adenine
SpectraBase Compound ID Ie55aWz7Bi6
InChI InChI=1S/C9H9N5O/c1-2-3-4-14-5-11-6-7(14)12-9(10)13-8(6)15/h3,5H,1,4H2,(H3,10,12,13,15)
InChIKey PIITUVLIMXSFFC-UHFFFAOYSA-N
Mol Weight 204.21 g/mol
Molecular Formula C9H10N5O
Exact Mass 204.088535 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B0jSJGOEzhT
Name N(9)-(2,3-BUTADIEN-1-YL)-ADENINE
CAS Registry Number 139347-52-7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H9N5O
InChI InChI=1S/C9H9N5O/c1-2-3-4-14-5-11-6-7(14)12-9(10)13-8(6)15/h3,5H,1,4H2,(H3,10,12,13,15)
InChIKey PIITUVLIMXSFFC-UHFFFAOYSA-N
Literature Reference Author S.MEGATI,S.PHADTARE,J.ZEMLICKA
Literature Reference Citation J.ORG.CHEM.,57,2320(1992)
Literature Reference DOI 10.1021/jo00034a025
Molecular Weight 203.203 g/mol
Solvent DMSO-D6
Source File Reference UWCS1339