5-NITROISOPHTHALIC ACID MONOETHYL ESTER(22871-55-2) IR1
Product Name5-NITROISOPHTHALIC ACID MONOETHYL ESTER
CAS22871-55-2
Molecular FormulaC10H9NO6
Molecular Weight239.18
InChIInChI=1S/C10H9NO6/c1-2-17-10(14)7-3-6(9(12)13)4-8(5-7)11(15)16/h3-5H,2H2,1H3,(H,12,13)
InChIKey HOYHBDFTELAGGG-UHFFFAOYSA-N
SmilesC1(C(OCC)=O)=CC([N+]([O-])=O)=CC(C(O)=O)=C1
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MassMS2001-00889WA 5-nitroisophthalic acid monoethyl ester C10H9NO6 (Mass of molecular ion: 239)
Source Temperature: 235 °C Sample Temperature: 300 °C Reservoir, 70 eV
18.0 1.5 27.0 3.9 28.0 1.9 29.0 8.2 30.0 1.8 39.0 1.6 43.0 1.9 44.0 4.7 45.0 7.5 50.0 3.3 51.0 1.4 53.0 1.5 62.0 1.2 63.0 3.3 64.0 2.1 65.0 5.7 74.0 9.6 75.0 20.3 76.0 2.6 77.0 1.7 81.0 4.5 91.0 1.7 92.0 1.7 102.0 4.8 103.0 2.1 104.0 1.1 109.0 1.5 119.0 8.2 120.0 19.5 121.0 2.5 135.0 1.0 136.0 3.3 137.0 1.6 139.0 1.2 147.0 4.3 148.0 30.9 149.0 5.7 150.0 2.0 163.0 1.2 164.0 1.7 165.0 24.3 166.0 4.7 167.0 4.1 176.0 2.9 178.0 8.8 179.0 25.9 180.0 2.6 181.0 3.6 193.0 3.2 194.0 100.0 195.0 24.5 196.0 3.1 206.0 1.6 207.0 1.5 209.0 1.9 211.0 27.7 212.0 5.9 222.0 22.5 223.0 6.2 224.0 1.0 238.0 1.3 239.0 24.6 240.0 3.3 267.0 4.4
KBr disk
Nujol
