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3-Hydroxymethyl-5-(4-nitroimidazol-1-yl)isoxazolidine
SpectraBase Compound ID 3wrQc3J9lcb
InChI InChI=1S/C7H8N4O4/c12-3-5-1-7(15-9-5)10-2-6(8-4-10)11(13)14/h2,4,7,12H,1,3H2
InChIKey SODIAKNHNJEDMS-UHFFFAOYSA-N
Mol Weight 212.16 g/mol
Molecular Formula C7H8N4O4
Exact Mass 212.054555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1MgDBDECYil
Name 3-Hydroxymethyl-5-(4-nitroimidazol-1-yl)isoxazolidine
Alternate Name(s) [5-(4-nitro-1H-imidazol-1-yl)-4,5-dihydro-3-isoxazolyl]methanol
Comments Less than 3 mono-isotopic peaks
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Formula C7H8N4O4
InChI InChI=1S/C7H8N4O4/c12-3-5-1-7(15-9-5)10-2-6(8-4-10)11(13)14/h2,4,7,12H,1,3H2
InChIKey SODIAKNHNJEDMS-UHFFFAOYSA-N
Molecular Weight 212.165 g/mol
SMILES OCC=1CC([n]2cc(nc2)N(=O)=O)ON1
SPLASH splash10-001i-9000000000-e0d1b7c4e6fdf4e170a5
Source of Spectrum F4-0-2700-24
Wiley ID 1618743