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QIHMSDRATSLFNM-UHFFFAOYSA-N
SpectraBase Compound ID LatzKp11FUn
InChI InChI=1S/C6H4ClN5/c7-5-1-3-6(4-2-5)12-10-8-9-11-12/h1-4H
InChIKey QIHMSDRATSLFNM-UHFFFAOYSA-N
Mol Weight 181.59 g/mol
Molecular Formula C6H4ClN5
Exact Mass 181.015523 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8oLloFhIWoB
Name QIHMSDRATSLFNM-UHFFFAOYSA-N
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H4ClN5
InChI InChI=1S/C6H4ClN5/c7-5-1-3-6(4-2-5)12-10-8-9-11-12/h1-4H
InChIKey QIHMSDRATSLFNM-UHFFFAOYSA-N
Literature Reference Author R.N.BUTLER,S.COLLIER,A.F.M.FLEMING
Literature Reference Citation J.CHEM.SOC.PERKIN-2,801(1996)
Literature Reference DOI 10.1039/p29960000801
Molecular Weight 181.584 g/mol
Solvent CD3OD:CD2Cl2
Source File Reference WANG642