2,2-Diethoxyacetophenone(6175-45-7) MS
Product Name2,2-Diethoxyacetophenone
CAS6175-45-7
Molecular FormulaC12H16O3
Molecular Weight208.25
InChIInChI=1S/C12H16O3/c1-3-14-12(15-4-2)11(13)10-8-6-5-7-9-10/h5-9,12H,3-4H2,1-2H3
InChIKey PIZHFBODNLEQBL-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=CC=C1)C(OCC)OCC
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MassMS-NW-7637 2,2-diethoxyacetophenone C12H16O3 (Mass of molecular ion: 208)
Source Temperature: 260 °C Sample Temperature: 170 °C Reservoir, 75 eV
19.0 2.1 27.0 5.8 28.0 2.0 29.0 18.2 31.0 1.6 39.0 1.1 45.0 2.1 47.0 100.0 48.0 1.2 50.0 2.9 51.0 10.9 75.0 55.3 76.0 2.9 77.0 25.1 78.0 2.6 79.0 11.1 91.0 1.8 103.0 81.9 104.0 5.0 105.0 22.2 106.0 2.2 107.0 1.0 135.0 7.6 163.0 2.8
90 MHz in CDCl3
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1H NMR 89.56 MHz C12 H16 O3 0.04 ml : 0.5 ml CDCl3 2,2-diethoxyacetophenone 
Assign. Shift(ppm)
A 8.156 B 7.58 to 7.36 C 5.263 D *1 3.75 E *1 3.67 F 1.247 J(D,E)=-9.6HZ J(D,F)=7.0HZ J(E,F)=7.0HZ
Hz ppm Int.735.81 8.216 110 734.25 8.199 114 732.75 8.182 54 731.75 8.171 47 730.19 8.154 49 728.63 8.136 99 728.19 8.131 96 726.00 8.107 133 679.13 7.583 43 678.06 7.572 52 674.31 7.530 96 672.44 7.509 235 671.44 7.498 102 670.38 7.486 102 668.56 7.465 53 666.50 7.442 67 665.44 7.431 81 664.94 7.425 99 664.44 7.419 96 471.44 5.264 362 345.19 3.855 61 340.88 3.807 85 338.00 3.775 173 333.88 3.729 193 330.81 3.694 189 326.94 3.651 192 323.81 3.616 86 320.06 3.574 79 317.31 3.543 41 118.50 1.324 455 111.50 1.245 1000 104.44 1.167 393
in CDCl3
liquid film
