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KDXMSWIHWYHRAU-UHFFFAOYSA-N

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KDXMSWIHWYHRAU-UHFFFAOYSA-N
SpectraBase Compound ID FqO5uk9k20o
InChI InChI=1S/C8H7N5O/c14-7-5-6(10-2-1-9-5)12-8-11-3-4-13(7)8/h1-2H,3-4H2,(H,10,11,12)
InChIKey KDXMSWIHWYHRAU-UHFFFAOYSA-N
Mol Weight 189.18 g/mol
Molecular Formula C8H7N5O
Exact Mass 189.06506 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aw5pyY9iw85
Name KDXMSWIHWYHRAU-UHFFFAOYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7N5O
InChI InChI=1S/C8H7N5O/c14-7-5-6(10-2-1-9-5)12-8-11-3-4-13(7)8/h1-2H,3-4H2,(H,10,11,12)
InChIKey KDXMSWIHWYHRAU-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2007)
Molecular Weight 189.176 g/mol
Source File Reference MHKO11863