4-(2,4-DINITROBENZYL)PYRIDINE(1603-85-6) 1H NMR
Product Name4-(2,4-DINITROBENZYL)PYRIDINE
CAS1603-85-6
Molecular FormulaC12H9N3O4
Molecular Weight259.22
InChIInChI=1S/C12H9N3O4/c16-14(17)11-2-1-10(12(8-11)15(18)19)7-9-3-5-13-6-4-9/h1-6,8H,7H2
InChIKey ZMNNEUAACIBIEC-UHFFFAOYSA-N
SmilesC1=NC=CC(CC2=CC=C([N+]([O-])=O)C=C2[N+]([O-])=O)=C1
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MassMS-KW-0693 4-(2,4-dinitrobenzyl)pyridine C12H9N3O4 (Mass of molecular ion: 259)
Source Temperature: 180 °C Sample Temperature: 130 °C Direct, 75 eV
27.0 1.1 28.0 3.8 30.0 3.1 38.0 1.2 39.0 7.4 50.0 4.0 51.0 13.3 52.0 4.2 53.0 1.5 62.0 3.6 63.0 11.7 64.0 3.6 65.0 3.9 69.0 2.7 69.5 7.2 70.0 2.2 70.5 3.0 74.0 2.6 75.0 4.2 76.0 3.0 77.0 4.7 78.0 23.4 79.0 11.3 80.0 2.5 82.5 4.3 83.0 1.8 86.0 1.5 87.0 3.1 88.0 2.6 89.0 5.8 90.0 3.0 91.0 4.8 92.0 1.8 101.0 1.9 102.0 2.1 103.0 1.2 106.0 11.5 107.0 2.2 113.0 4.9 114.0 4.4 115.0 2.7 116.0 2.2 117.0 1.9 118.0 1.3 119.0 2.0 126.0 2.2 127.0 6.5 128.0 3.9 129.0 2.2 130.0 1.2 137.0 5.1 138.0 4.0 139.0 27.2 140.0 21.0 141.0 5.5 142.0 1.8 152.0 1.4 153.0 1.9 154.0 10.3 155.0 3.5 156.0 2.0 157.0 1.2 164.0 4.0 165.0 7.5 166.0 13.2 167.0 14.0 168.0 11.6 169.0 6.4 170.0 1.5 179.0 7.5 180.0 2.9 181.0 2.4 182.0 3.6 183.0 3.1 184.0 7.1 185.0 2.5 195.0 12.1 196.0 54.0 197.0 8.3 212.0 2.8 213.0 1.0 214.0 1.3 215.0 1.6 225.0 3.5 226.0 1.0 231.0 9.8 232.0 1.4 241.0 7.4 242.0 100.0 243.0 17.8 244.0 2.1 258.0 12.8 259.0 19.9 260.0 3.4
in CDCl3
in CDCl3
KBr disk
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