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3-Methyl-4-(nitroxymethyl)furoxan
SpectraBase Compound ID C3EhvonmIYa
InChI InChI=1S/C4H6N3O5/c1-3-4(2-11-7(9)10)5-12-6(3)8/h8H,2H2,1H3
InChIKey LNKOTBVFPRRGDK-UHFFFAOYSA-N
Mol Weight 175.1 g/mol
Molecular Formula C4H5N3O5
Exact Mass 175.02292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2n08mn7VQ8X
Name 3-Methyl-4-(nitroxymethyl)furoxan
Comments Note: The molecular formula of the structure shown is C4H6N3O5 - which differs from the formula reported for the mass spectrum (C4H5N3O5)
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Formula C4H5N3O5
InChI InChI=1S/C4H6N3O5/c1-3-4(2-11-7(9)10)5-12-6(3)8/h8H,2H2,1H3
InChIKey LNKOTBVFPRRGDK-UHFFFAOYSA-N
Molecular Weight 175.100 g/mol
SMILES C1(=[N](ON=C1CON(=O)=O)[O])C
SPLASH splash10-0002-6900000000-3dddc86c47b713f55e04
Source of Spectrum QF-45-1694-3
Wiley ID 833384