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4,6-Dimethyl-1-oxidanidyl-[1,2,5]oxadiazolo[3,4-d]pyrimidin-1-ium-5,7-dione
SpectraBase Compound ID 6hj5sfwcqci
InChI InChI=1S/C6H6N4O4/c1-8-4-3(10(13)14-7-4)5(11)9(2)6(8)12/h1-2H3
InChIKey NXKINPJXIQQAAF-UHFFFAOYSA-N
Mol Weight 198.14 g/mol
Molecular Formula C6H6N4O4
Exact Mass 198.038905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7TiWhDfWJPM
Name 4,6-Dimethyl-1-oxidanidyl-[1,2,5]oxadiazolo[3,4-d]pyrimidin-1-ium-5,7-dione
CAS Registry Number 42963-36-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6N4O4
InChI InChI=1S/C6H6N4O4/c1-8-4-3(10(13)14-7-4)5(11)9(2)6(8)12/h1-2H3
InChIKey NXKINPJXIQQAAF-UHFFFAOYSA-N
Molecular Weight 198.138 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)C)[n+]([O-])on1
SPLASH splash10-001i-9100000000-88b7b9e62af6284784e9
Source of Spectrum Y-10-994-1
Synonyms 4,6-Dimethyl-1-oxido-furazano[3,4-d]pyrimidin-1-ium-5,7-quinone 4,6-Dimethyl-1-oxido-[1,2,5]oxadiazolo[3,4-d]pyrimidin-1-ium-5,7-dione
Wiley ID 1194797