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ISOPTERIN

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ISOPTERIN
SpectraBase Compound ID I9GtTji1QUz
InChI InChI=1S/C6H5N5O/c7-4-3-5(9-2-1-8-3)11-6(12)10-4/h1-2H,(H3,7,9,10,11,12)
InChIKey ZYLMCRLXTUAWGM-UHFFFAOYSA-N
Mol Weight 163.14 g/mol
Molecular Formula C6H5N5O
Exact Mass 163.04941 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5XbBKPx41YT
Name ISOPTERIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H5N5O
InChI InChI=1S/C6H5N5O/c7-4-3-5(9-2-1-8-3)11-6(12)10-4/h1-2H,(H3,7,9,10,11,12)
InChIKey ZYLMCRLXTUAWGM-UHFFFAOYSA-N
Literature Reference Author S.TOBIAS,H.GUENTHER,W.PFLEIDERER
Literature Reference Citation CHEM.BER.,118,354(1985)
Literature Reference DOI 10.1002/cber.19851180133
Molecular Weight 163.139 g/mol
Solvent CF3COOD
Source File Reference UNIW13772