Ethyl 4-nitrophenylacetate(5445-26-1) MS
Product NameEthyl 4-nitrophenylacetate
CAS5445-26-1
Molecular FormulaC10H11NO4
Molecular Weight209.2
InChIInChI=1S/C10H11NO4/c1-2-15-10(12)7-8-3-5-9(6-4-8)11(13)14/h3-6H,2,7H2,1H3
InChIKey DWDRNKYLWMKWTH-UHFFFAOYSA-N
SmilesC1(CC(OCC)=O)=CC=C([N+]([O-])=O)C=C1
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MassMS-NW-3780 ethyl p-nitrophenylacetate C10H11NO4 (Mass of molecular ion: 209)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
27.0 7.0 28.0 1.6 29.0 100.0 30.0 15.5 38.0 1.3 39.0 5.3 40.0 1.0 45.0 1.5 50.0 2.1 51.0 3.8 52.0 2.0 62.0 2.4 63.0 7.8 64.0 3.5 65.0 1.1 73.0 1.4 77.0 4.3 78.0 15.9 79.0 3.4 89.0 19.1 90.0 23.0 91.0 6.0 106.0 11.0 107.0 13.3 108.0 1.1 119.0 4.1 120.0 10.1 121.0 2.2 135.0 1.7 136.0 32.7 137.0 42.0 138.0 3.4 164.0 4.0 165.0 2.1 181.0 2.1 209.0 10.5 210.0 1.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H11 N O4 0.045 g : 0.5 ml CDCl3 ethyl p-nitrophenylacetate 
Assign. Shift(ppm)
A 8.176 B 7.468 C 4.177 D 3.729 E 1.265
Hz ppm Int.737.19 8.232 248 735.13 8.209 82 730.44 8.156 88 728.31 8.133 317 725.94 8.106 42 675.13 7.539 35 672.81 7.513 285 672.19 7.506 187 671.19 7.495 61 670.63 7.489 80 665.94 7.436 67 664.44 7.419 147 663.88 7.413 215 663.31 7.407 104 385.13 4.301 99 377.94 4.220 340 370.81 4.141 355 363.75 4.062 116 334.00 3.730 511 120.25 1.343 435 113.19 1.264 1000 106.00 1.184 378
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
