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3-METHYL-3-CYANO-2,1,4-BENZOXADIAZINE-4-OXIDE

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3-METHYL-3-CYANO-2,1,4-BENZOXADIAZINE-4-OXIDE
SpectraBase Compound ID 682NoqkJiQx
InChI InChI=1S/C9H7N3O2/c1-9(6-10)12(13)8-5-3-2-4-7(8)11-14-9/h2-5H,1H3
InChIKey LWESHTXFMBEFRK-UHFFFAOYSA-N
Mol Weight 189.17 g/mol
Molecular Formula C9H7N3O2
Exact Mass 189.053826 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JnAeqLeHXrY
Name 3-METHYL-3-CYANO-2,1,4-BENZOXADIAZINE-4-OXIDE
Compound Number VII
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H7N3O2
InChI InChI=1S/C9H7N3O2/c1-9(6-10)12(13)8-5-3-2-4-7(8)11-14-9/h2-5H,1H3
InChIKey LWESHTXFMBEFRK-UHFFFAOYSA-N
Literature Reference Author V.A.SAMSONOV,L.B.VOLODARSKII,O.V.SHAMIRZAEVA
Literature Reference Citation CHEM.HET.COMP.,30,460(1994)
Literature Reference DOI 10.1007/bf01169943
Molecular Weight 189.173 g/mol
Solvent CDCl3
Source File Reference UWMZ12898