4'-(2-ACETOXYETHOXY)ACETOPHENONE(75230-41-0) Raman
Product Name4'-(2-ACETOXYETHOXY)ACETOPHENONE
CAS75230-41-0
Molecular FormulaC12H14O4
Molecular Weight222.24
InChIInChI=1S/C12H14O4/c1-9(13)11-3-5-12(6-4-11)16-8-7-15-10(2)14/h3-6H,7-8H2,1-2H3
InChIKey KEONNVSUEWQGQT-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=C(OCCOC(C)=O)C=C1)C
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MassMS-NW-2375 4'-(2-acetoxyethoxy)acetophenone C12H14O4 (Mass of molecular ion: 222)
Source Temperature: 180 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 2.0 39.0 1.0 43.0 54.8 44.0 1.3 50.0 1.1 63.0 1.1 65.0 1.8 76.0 1.4 77.0 1.7 87.0 100.0 88.0 4.4 91.0 1.6 93.0 1.4 121.0 7.6 147.0 2.7 222.0 3.0
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C12 H14 O4 0.44 g : 0.5 ml CDCl3 4'-(2-acetoxyethoxy)acetophenone 
Assign. Shift(ppm)
A 7.939 B 6.953 C 4.447 D 4.242 E 2.555 F 2.104
Hz ppm Int.3177.73 7.952 209 3175.54 7.946 67 3170.78 7.934 63 3168.70 7.929 225 2783.08 6.964 201 2780.88 6.959 62 2776.12 6.947 58 2774.05 6.942 193 1782.35 4.460 103 1779.91 4.454 38 1777.71 4.449 120 1776.49 4.446 73 1775.02 4.442 40 1772.83 4.436 126 1699.58 4.253 140 1697.39 4.248 41 1695.92 4.244 70 1694.70 4.241 121 1692.50 4.235 39 1690.06 4.229 101 1024.17 2.563 31 1021.48 2.556 1000 840.94 2.105 927
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1H NMR 89.56 MHz C12 H14 O4 0.047 g : 0.5 ml CDCl3 4'-(2-acetoxyethoxy)acetophenone Assign. Shift(ppm)
A 7.93 B 6.95 C 4.44 D 4.25 E 2.553 F 2.101
Hz ppm Int.715.31 7.987 169 713.19 7.964 57 708.50 7.911 66 706.25 7.886 205 703.44 7.855 31 626.56 6.996 191 624.44 6.973 59 619.69 6.920 57 617.56 6.896 154 403.94 4.511 39 402.63 4.496 43 399.13 4.457 78 398.56 4.451 74 397.13 4.435 70 395.63 4.418 58 394.25 4.403 114 393.56 4.395 109 384.06 4.289 115 383.31 4.280 112 381.94 4.265 54 380.50 4.249 73 379.06 4.233 80 378.50 4.227 81 374.88 4.186 49 373.69 4.173 43 228.56 2.553 1000 225.63 2.520 43 224.44 2.507 30 188.06 2.100 916
in CDCl3
CCl4 solution
KBr disc
nujol mull
4880 A,200 M,powder
