N-(2,4-DINITROPHENYL)-L-ALANINE(1655-52-3) IR1
Product NameN-(2,4-DINITROPHENYL)-L-ALANINE
CAS1655-52-3
Molecular FormulaC9H9N3O6
Molecular Weight255.18
InChIInChI=1S/C9H9N3O6/c1-5(9(13)14)10-7-3-2-6(11(15)16)4-8(7)12(17)18/h2-5,10H,1H3,(H,13,14)/t5-/m0/s1
InChIKey KKHLKORVTUUSBC-YFKPBYRVSA-N
SmilesC(O)(=O)[C@H](C)NC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O
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MassMS-NW-2030 N-(2,4-dinitrophenyl)-L-alanine C9H9N3O6 (Mass of molecular ion: 255)
Source Temperature: 190 °C Sample Temperature: 230 °C Direct, 75 eV
12.0 1.6 14.0 1.0 15.0 4.7 16.0 4.8 17.0 13.6 18.0 68.2 22.0 1.0 26.0 3.4 27.0 8.5 28.0 16.8 29.0 5.3 30.0 12.9 37.0 3.2 38.0 8.0 39.0 10.7 40.0 3.8 41.0 4.6 42.0 15.3 43.0 70.6 44.0 100.0 45.0 3.1 46.0 1.7 50.0 7.9 51.0 11.6 52.0 14.6 53.0 3.9 54.0 1.5 55.0 1.1 61.0 3.6 62.0 12.2 63.0 36.3 64.0 12.2 65.0 6.6 66.0 6.2 67.0 2.0 74.0 5.8 75.0 13.3 76.0 11.5 77.0 12.3 78.0 14.4 79.0 5.7 80.0 4.2 87.0 1.4 88.0 3.2 89.0 9.9 90.0 34.0 91.0 13.0 92.0 4.6 93.0 4.0 94.0 2.0 102.0 3.6 103.0 6.5 104.0 18.8 105.0 7.9 106.0 7.2 107.0 4.0 116.0 7.3 117.0 9.7 118.0 14.4 119.0 15.0 120.0 2.9 121.0 2.8 129.0 4.3 130.0 6.4 131.0 48.4 132.0 7.2 133.0 5.0 134.0 5.6 135.0 2.2 137.0 5.5 145.0 1.5 146.0 3.3 147.0 26.8 148.0 4.7 149.0 3.0 151.0 1.8 153.0 4.2 161.0 8.2 162.0 1.8 163.0 6.1 164.0 12.6 165.0 2.3 166.0 1.3 167.0 9.5 168.0 1.0 175.0 5.0 176.0 2.2 177.0 85.7 178.0 9.8 179.0 3.6 191.0 3.0 192.0 1.9 193.0 25.1 194.0 4.7 195.0 1.1 205.0 1.0 209.0 4.7 210.0 29.1 211.0 3.0 255.0 3.3
KBr disc
nujol mull
