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(5(4)-Nitroimidazol-4(5)-yl)-methylnitrate
SpectraBase Compound ID CVLPcsAph4S
InChI InChI=1S/C4H4N4O5/c9-7(10)4-3(5-2-6-4)1-13-8(11)12/h2H,1H2,(H,5,6)
InChIKey ULZDUAFXATUPCS-UHFFFAOYSA-N
Mol Weight 188.1 g/mol
Molecular Formula C4H4N4O5
Exact Mass 188.018169 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K7sbpTiIgQ6
Name (5(4)-NITROIMIDAZOL-4(5)-YL)-METHYLNITRATE
CAS Registry Number 81246-36-8
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H4N4O5
InChI InChI=1S/C4H4N4O5/c9-7(10)4-3(5-2-6-4)1-13-8(11)12/h2H,1H2,(H,5,6)
InChIKey ULZDUAFXATUPCS-UHFFFAOYSA-N
Literature Reference Author D.C.J.WU,C.J.CHEER,R.P.PANZICA,E.ABUSHANAB
Literature Reference Citation J.ORG.CHEM.,47,2661(1982)
Literature Reference DOI 10.1021/jo00134a029
Molecular Weight 188.100 g/mol
Solvent DMSO-D6
Source File Reference UNIW20042