2,4,5-TRIETHOXYBENZOPHENONE(52199-46-9) MS
Product Name2,4,5-TRIETHOXYBENZOPHENONE
CAS52199-46-9
Molecular FormulaC19H22O4
Molecular Weight314.38
InChIInChI=1S/C19H22O4/c1-4-21-16-13-18(23-6-3)17(22-5-2)12-15(16)19(20)14-10-8-7-9-11-14/h7-13H,4-6H2,1-3H3
InChIKey ATJSQHQJQSASKB-UHFFFAOYSA-N
SmilesC(C1=CC=CC=C1)(C1=CC(OCC)=C(OCC)C=C1OCC)=O
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MassMS-NW-7159 2,4,5-triethoxybenzophenone C19H22O4 (Mass of molecular ion: 314)
Source Temperature: 170 °C Sample Temperature: 140 °C Direct, 75 eV
18.0 4.0 26.0 1.0 27.0 10.0 28.0 1.5 29.0 24.4 39.0 2.5 43.0 2.6 50.0 2.5 51.0 9.4 52.0 1.6 53.0 9.4 55.0 3.5 63.0 1.2 69.0 31.3 70.0 1.5 75.0 1.1 76.0 2.1 77.0 40.3 78.0 3.9 79.0 2.3 82.0 1.2 91.0 3.2 95.0 6.3 96.0 1.3 97.0 1.1 102.0 1.4 103.0 2.7 105.0 40.9 106.0 3.6 107.0 2.4 108.0 1.2 114.0 1.0 115.0 4.7 116.0 1.0 117.0 1.6 123.0 9.5 124.0 1.9 125.0 1.1 126.0 1.0 127.0 4.0 128.0 3.2 129.0 1.5 131.0 6.8 132.0 1.4 133.0 1.2 135.0 1.1 136.0 1.0 137.0 1.7 139.0 2.1 145.0 1.1 151.0 17.9 152.0 5.9 153.0 8.9 155.0 5.0 157.0 2.6 159.0 5.6 165.0 1.2 167.0 1.1 173.0 2.0 179.0 3.5 180.0 3.0 181.0 11.0 182.0 1.6 183.0 10.2 184.0 2.5 185.0 1.5 187.0 2.5 200.0 1.0 201.0 2.0 208.0 1.0 209.0 17.4 210.0 2.4 211.0 19.2 212.0 3.8 213.0 2.0 215.0 1.2 223.0 1.3 228.0 1.7 229.0 70.0 230.0 11.8 231.0 1.6 237.0 6.6 238.0 1.1 239.0 3.8 240.0 1.6 241.0 2.1 243.0 1.1 257.0 19.0 258.0 7.0 259.0 1.2 268.0 1.1 269.0 4.2 271.0 2.3 285.0 13.6 286.0 7.4 287.0 1.4 296.0 1.3 297.0 14.8 298.0 3.4 299.0 3.4 313.0 2.0 314.0 100.0 315.0 21.2 316.0 3.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C19 H22 O4 0.046 g : 0.5 ml CDCl3 2,4,5-triethoxybenzophenone 
Assign. Shift(ppm)
A 7.736 B 7.50 C 7.42 D 7.093 E 6.517 F *1 4.11 G *1 4.09 K *1 3.843 L *2 1.48 M *2 1.42 N *2 0.952
Hz ppm Int.698.38 7.798 175 696.75 7.780 197 695.06 7.761 115 694.19 7.752 95 693.00 7.738 96 691.38 7.720 203 691.00 7.716 201 688.69 7.690 276 687.44 7.676 67 674.13 7.528 85 673.00 7.515 110 669.56 7.477 202 667.69 7.456 443 665.63 7.433 165 665.13 7.427 141 664.06 7.415 114 662.06 7.393 124 661.06 7.382 154 660.38 7.374 168 660.00 7.370 169 654.88 7.313 66 635.31 7.094 529 583.75 6.518 398 381.63 4.262 102 374.69 4.184 410 367.56 4.105 650 364.13 4.066 50 360.50 4.026 469 354.56 3.959 137 353.56 3.948 155 347.63 3.882 357 340.63 3.804 373 333.75 3.727 125 139.81 1.562 404 132.94 1.485 955 126.56 1.414 1000 119.50 1.335 391 92.06 1.028 403 85.19 0.952 830 78.13 0.873 356
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
