1,8-Dihydroxy-4,5-dinitroanthraquinone(81-55-0) 1H NMR
Product Name1,8-Dihydroxy-4,5-dinitroanthraquinone
CAS81-55-0
Molecular FormulaC14H6N2O8
Molecular Weight330.21
InChIInChI=1S/C14H6N2O8/c17-7-3-1-5(15(21)22)9-11(7)14(20)12-8(18)4-2-6(16(23)24)10(12)13(9)19/h1-4,17-18H
InChIKey GJCHQJDEYFYWER-UHFFFAOYSA-N
SmilesC1(O)=C2C(C(=O)C3=C(C2=O)C(O)=CC=C3[N+]([O-])=O)=C([N+]([O-])=O)C=C1
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MassMS2001-00052WA 1,8-dihydroxy-4,5-dinitroanthraquinone C14H6N2O8 (Mass of molecular ion: 330)
Source Temperature: 205 °C Sample Temperature: 120 °C Direct, 70 eV
30.0 3.8 51.0 1.6 53.0 2.0 55.0 1.0 62.0 3.4 63.0 5.5 64.0 1.1 74.0 3.0 75.0 3.7 76.0 3.1 77.0 1.5 78.0 1.1 79.0 2.3 80.0 2.3 86.0 2.4 87.0 3.2 88.0 2.6 90.0 1.8 91.0 4.3 92.0 2.0 96.0 1.2 98.0 2.6 99.0 3.6 100.0 3.1 101.0 1.1 102.0 1.1 104.0 2.3 106.0 4.1 107.0 1.3 110.0 2.1 111.0 1.3 113.0 3.3 114.0 6.8 115.0 1.0 116.0 1.8 119.0 1.6 120.0 2.1 122.0 2.6 123.0 3.5 124.0 2.2 125.0 2.8 126.0 13.3 127.0 1.9 128.0 1.0 130.0 1.2 132.0 2.5 133.0 1.2 134.0 1.3 135.0 2.1 136.0 2.8 142.0 15.0 143.0 2.0 144.0 2.7 150.0 1.6 151.0 2.2 152.0 1.1 153.0 2.3 154.0 3.8 156.0 1.0 158.0 2.2 164.0 1.7 165.0 1.0 166.0 1.0 169.0 2.5 170.0 8.9 171.0 1.5 172.0 2.6 176.0 4.3 181.0 1.7 182.0 3.7 186.0 9.1 187.0 1.3 188.0 2.5 197.0 1.6 198.0 13.7 199.0 2.3 200.0 2.6 210.0 2.1 214.0 7.5 215.0 1.2 216.0 1.3 218.0 1.4 226.0 4.0 227.0 3.6 228.0 6.0 229.0 1.1 232.0 1.7 239.0 1.2 240.0 1.4 242.0 2.5 246.0 1.0 254.0 6.1 255.0 4.2 256.0 2.9 300.0 6.7 301.0 1.3 314.0 1.5 330.0 100.0 331.0 15.7 332.0 2.8
KBr disk
Nujol
