3,5-Dinitrosalicylic acid(609-99-4) 1H NMR
Product Name3,5-Dinitrosalicylic acid
CAS609-99-4
Molecular FormulaC7H4N2O7
Molecular Weight228.12
InChIInChI=1S/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,(H,11,12)
InChIKey LWFUFLREGJMOIZ-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC([N+]([O-])=O)=CC([N+]([O-])=O)=C1O
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MassMS-NW-4776 3,5-dinitrosalicylic acid C7H4N2O7 (Mass of molecular ion: 228)
Source Temperature: 190 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 1.0 18.0 4.4 28.0 3.9 29.0 1.7 30.0 19.3 37.0 2.9 38.0 3.6 39.0 2.5 44.0 2.2 45.0 4.6 46.0 1.1 49.0 1.2 50.0 8.0 51.0 7.9 52.0 3.2 53.0 17.9 54.0 1.5 61.0 7.3 62.0 24.5 63.0 15.3 64.0 5.2 65.0 1.1 66.0 7.5 67.0 1.1 68.0 1.5 69.0 3.4 74.0 1.3 76.0 1.3 77.0 4.2 78.0 6.4 79.0 5.4 80.0 4.1 89.0 1.1 90.0 10.8 91.0 7.5 92.0 2.9 94.0 2.3 96.0 1.3 105.0 1.3 106.0 2.1 107.0 2.0 118.0 15.5 119.0 3.3 120.0 1.4 123.0 1.5 136.0 2.6 137.0 1.3 152.0 22.2 153.0 1.6 164.0 2.3 165.0 1.8 180.0 3.6 194.0 7.1 210.0 100.0 211.0 9.5 212.0 2.0 228.0 48.5 229.0 4.4
in D2O
KBr disc
nujol mull
