N-(2,4-Dinitrophenyl)-DL-threonine(14401-07-1) IR1
Product NameN-(2,4-Dinitrophenyl)-DL-threonine
CAS14401-07-1
Molecular FormulaC10H11N3O7
Molecular Weight285.21
InChIInChI=1S/C10H11N3O7/c1-5(14)9(10(15)16)11-7-3-2-6(12(17)18)4-8(7)13(19)20/h2-5,9,11,14H,1H3,(H,15,16)/t5-,9+/m1/s1
InChIKey PWOCOTZWYFGDMO-ANLVUFKYSA-N
SmilesC(O)(=O)[C@H]([C@H](O)C)NC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O
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MassMS-NW-2015 N-(2,4-dinitrophenyl)-DL-threonine C10H11N3O7 (Mass of molecular ion: 285)
Source Temperature: 220 °C Sample Temperature: 250 °C Direct, 75 eV
12.0 2.2 13.0 1.4 14.0 5.5 15.0 18.2 16.0 4.5 17.0 10.6 18.0 49.8 22.0 1.1 25.0 1.4 26.0 5.1 27.0 8.2 28.0 21.4 29.0 52.0 30.0 15.5 37.0 4.6 38.0 8.3 39.0 11.4 40.0 3.0 41.0 4.6 42.0 6.3 43.0 30.7 44.0 100.0 45.0 6.9 46.0 2.1 49.0 1.2 50.0 6.7 51.0 12.5 52.0 17.6 53.0 4.9 54.0 1.8 55.0 1.5 61.0 4.6 62.0 14.1 63.0 30.3 64.0 11.4 65.0 5.2 66.0 8.3 67.0 1.8 68.0 1.0 72.0 1.0 74.0 3.3 75.0 7.9 76.0 8.3 77.0 11.2 78.0 21.6 79.0 5.6 80.0 6.0 87.0 1.4 88.0 3.8 89.0 7.0 90.0 40.5 91.0 14.5 92.0 3.5 93.0 4.0 94.0 2.2 102.0 1.6 103.0 4.8 104.0 5.0 105.0 24.4 106.0 5.4 107.0 3.4 116.0 10.8 117.0 41.2 118.0 4.8 119.0 4.1 120.0 1.8 121.0 4.3 131.0 1.6 132.0 1.0 133.0 36.1 134.0 6.5 137.0 6.5 138.0 1.2 143.0 1.3 147.0 4.5 148.0 1.2 149.0 8.1 150.0 1.9 153.0 4.4 159.0 1.3 163.0 70.2 164.0 7.4 165.0 2.1 166.0 1.0 167.0 14.3 168.0 1.7 177.0 1.5 178.0 1.2 179.0 49.5 180.0 5.1 181.0 1.0 183.0 2.5 189.0 2.2 195.0 1.7 196.0 2.7 205.0 4.4 207.0 1.0
KBr disc
nujol mull
