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2-Oxy-3-(3,4-dihydroxyphenyl)-1,2,5-oxadiazole
SpectraBase Compound ID 4X6mPaEF5tC
InChI InChI=1S/C8H6N2O4/c11-7-2-1-5(3-8(7)12)6-4-9-14-10(6)13/h1-4,11-12H
InChIKey RJCYGVCQBBWCSP-UHFFFAOYSA-N
Mol Weight 194.15 g/mol
Molecular Formula C8H6N2O4
Exact Mass 194.032757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6tmyRtgNWWj
Name 2-Oxy-3-(3,4-dihydroxyphenyl)-1,2,5-oxadiazole
Alternate Name(s) 4-(2-oxido-1,2,5-oxadiazol-3-yl)-1,2-benzenediol
Comments Less than 3 mono-isotopic peaks
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Formula C8H6N2O4
InChI InChI=1S/C8H6N2O4/c11-7-2-1-5(3-8(7)12)6-4-9-14-10(6)13/h1-4,11-12H
InChIKey RJCYGVCQBBWCSP-UHFFFAOYSA-N
Molecular Weight 194.146 g/mol
SMILES Oc1cc(ccc1O)-c1[n+](onc1)[O-]
SPLASH splash10-001i-0900000000-b0b0e0403244a6c61f41
Source of Spectrum J-67-809-3
Wiley ID 1569084