1-(2,4,5-triethoxyphenyl)ethan-1-one(63213-29-6) MS
Product Name1-(2,4,5-triethoxyphenyl)ethan-1-one
CAS63213-29-6
Molecular FormulaC14H20O4
Molecular Weight252.31
InChIInChI=1S/C14H20O4/c1-5-16-12-9-14(18-7-3)13(17-6-2)8-11(12)10(4)15/h8-9H,5-7H2,1-4H3
InChIKey PXBWCOGDYXMWMC-UHFFFAOYSA-N
SmilesC(=O)(C1=CC(OCC)=C(OCC)C=C1OCC)C
-
MassMS-NW-7204 2',4',5'-triethoxyacetophenone C14H20O4 (Mass of molecular ion: 252)
Source Temperature: 240 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 1.1 26.0 1.9 27.0 15.9 28.0 2.0 29.0 31.7 38.0 1.0 39.0 5.3 40.0 1.0 41.0 2.1 42.0 1.5 43.0 42.8 44.0 1.1 45.0 1.1 50.0 3.5 51.0 6.3 52.0 2.8 53.0 9.1 54.0 1.2 55.0 4.9 62.0 1.2 63.0 2.0 64.0 1.0 65.0 3.0 66.0 1.6 67.0 2.3 68.0 1.3 69.0 28.9 70.0 1.7 71.0 3.5 77.0 2.6 78.0 1.9 79.0 8.0 80.0 1.6 81.0 2.0 82.0 1.7 83.0 5.5 91.0 1.0 93.0 1.8 94.0 1.4 95.0 6.1 96.0 2.2 97.0 13.6 98.0 1.2 107.0 4.6 108.0 2.9 109.0 1.3 110.0 1.0 111.0 5.9 121.0 2.7 123.0 3.2 124.0 2.2 125.0 2.6 135.0 2.7 136.0 1.6 137.0 3.1 139.0 15.8 140.0 1.4 149.0 3.1 150.0 1.6 151.0 2.6 152.0 2.2 153.0 26.6 154.0 2.5 163.0 2.2 164.0 1.0 165.0 3.5 167.0 100.0 168.0 16.9 169.0 1.9 177.0 1.6 178.0 1.4 179.0 3.1 180.0 1.3 181.0 13.5 182.0 1.6 191.0 2.0 193.0 1.1 195.0 27.5 196.0 10.2 197.0 1.2 207.0 2.3 209.0 15.7 210.0 2.0 219.0 1.2 223.0 12.9 224.0 4.9 235.0 2.7 237.0 24.2 238.0 3.9 252.0 66.8 253.0 10.5 254.0 1.3
90 MHz in CDCl3
-
1H NMR 89.56 MHz C14 H20 O4 0.040 g : 0.5 ml CDCl3 2',4',5'-triethoxyacetophenone 
Assign. Shift(ppm)
A 7.435 B 6.466 C *1 4.13 D *1 4.10 E *1 4.08 F 2.604 G *2 1.47 K *2 1.41
Hz ppm Int.665.94 7.436 250 579.13 6.467 190 380.69 4.251 59 377.38 4.214 76 375.25 4.190 116 373.75 4.174 188 370.50 4.137 209 368.31 4.113 241 366.75 4.096 205 363.50 4.059 210 361.38 4.036 213 359.81 4.018 83 358.50 4.003 39 356.56 3.982 72 354.44 3.958 69 233.31 2.606 1000 139.00 1.553 337 133.31 1.489 412 132.06 1.475 670 126.38 1.412 520 125.06 1.397 324 119.44 1.334 187
in CDCl3
KBr disc
nujol mull
