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7-Nitrobenzo[c][1,2,5]oxadiazol-4-ol
SpectraBase Compound ID 4kUbdxDNgND
InChI InChI=1S/C6H3N3O4/c10-4-2-1-3(9(11)12)5-6(4)8-13-7-5/h1-2,10H
InChIKey KLNINKSJGOWWCU-UHFFFAOYSA-N
Mol Weight 181.11 g/mol
Molecular Formula C6H3N3O4
Exact Mass 181.012356 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5FgeqZc7oP
Name 7-Nitrobenzo[c][1,2,5]oxadiazol-4-ol
Appearance Brown solid
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Formula C6H3N3O4
InChI InChI=1S/C6H3N3O4/c10-4-2-1-3(9(11)12)5-6(4)8-13-7-5/h1-2,10H
InChIKey KLNINKSJGOWWCU-UHFFFAOYSA-N
Instrument Name Thermo TRACE
Ionization Type EI
Molecular Weight 181.107 g/mol
Reported Formula C6H3N3O4
SMILES Oc1ccc(c2c1non2)[N+](=O)[O-]
SPLASH splash10-0fc0-9100000000-5b55be95116c37c24f96
Source of Spectrum EP2190290A2
Thin-Layer Chromatography Rf = 0.4 (DCM/MeOH, 4:1)
Wiley ID 1841877