5-Nitrofurfural (698-63-5) IR1
Product Name5-Nitrofurfural
CAS698-63-5
Molecular FormulaC5H3NO4
Molecular Weight141.08
InChIInChI=1S/C5H3NO4/c7-3-4-1-2-5(10-4)6(8)9/h1-3H
InChIKey SXINBFXPADXIEY-UHFFFAOYSA-N
SmilesO1C([N+]([O-])=O)=CC=C1C=O
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MassMS-NW-1401 5-nitro-2-furaldehyde C5H3NO4 (Mass of molecular ion: 141)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
12.0 1.1 13.0 1.6 18.0 2.3 25.0 3.3 26.0 14.1 27.0 38.2 28.0 8.1 29.0 51.3 30.0 62.1 36.0 2.9 37.0 22.8 38.0 66.7 39.0 79.4 40.0 6.5 41.0 6.3 42.0 1.1 44.0 3.5 46.0 1.7 49.0 2.0 50.0 4.5 51.0 4.7 52.0 8.2 53.0 5.7 54.0 12.4 55.0 28.1 66.0 13.2 67.0 1.4 68.0 19.2 80.0 3.7 82.0 4.4 83.0 43.5 84.0 2.0 94.0 2.4 96.0 38.3 97.0 2.0 111.0 9.6 125.0 1.2 140.0 1.0 141.0 100.0 142.0 6.7 143.0 1.0
KBr disc
