PHENACYL 4-(BROMOMETHYL)PHENYLACETATE(66270-97-1) Raman
Product NamePHENACYL 4-(BROMOMETHYL)PHENYLACETATE
CAS66270-97-1
Molecular FormulaC17H15BrO3
Molecular Weight347.2
InChIInChI=1S/C17H15BrO3/c18-11-14-8-6-13(7-9-14)10-17(20)21-12-16(19)15-4-2-1-3-5-15/h1-9H,10-12H2
InChIKey BUQPIKAEKYNDAS-UHFFFAOYSA-N
SmilesC1(CC(OCC(=O)C2=CC=CC=C2)=O)=CC=C(CBr)C=C1
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MassMS-NW-9399 phenacyl p-(bromomethyl)phenylacetate C17H15BrO3 (Mass of molecular ion: 346)
Source Temperature: 200 °C Sample Temperature: 130 °C Direct, 75 eV
17.0 1.1 18.0 5.9 28.0 1.0 39.0 1.9 50.0 1.8 51.0 7.3 52.0 1.6 63.0 1.1 65.0 2.3 76.0 1.3 77.0 25.1 78.0 7.0 80.0 1.1 82.0 1.0 91.0 6.3 102.0 1.2 103.0 6.1 104.0 24.6 105.0 100.0 106.0 7.7 131.0 53.3 132.0 6.6 183.0 4.2 185.0 4.0 210.0 9.2 211.0 1.2 212.0 9.0 213.0 1.0 267.0 17.5 268.0 3.3 346.0 1.2 348.0 1.2
400 MHz in CDCl3
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1H NMR 399.65 MHz C17 H15 Br O3 0.030 g : 0.5 ml CDCl3 phenacyl p-(bromomethyl)phenylacetate 
Assign. Shift(ppm)
A 7.884 B 7.597 C 7.471 D *1 7.366 E *1 7.333 F 5.347 G 4.482 J 3.812
Hz ppm Int.3155.88 7.897 183 3155.27 7.896 158 3154.66 7.894 219 3149.54 7.881 65 3147.46 7.876 248 3146.12 7.873 217 3045.78 7.622 32 3044.56 7.619 59 3043.21 7.615 34 3038.94 7.605 42 3037.11 7.600 137 3035.28 7.595 46 3030.88 7.584 59 3029.66 7.581 103 3028.32 7.578 53 2994.87 7.494 38 2993.16 7.490 172 2991.58 7.486 70 2985.23 7.470 234 2979.49 7.456 49 2977.78 7.451 117 2949.95 7.382 135 2947.88 7.377 59 2943.85 7.367 93 2941.65 7.361 406 2932.98 7.339 366 2930.66 7.334 84 2926.51 7.323 54 2924.56 7.318 123 2137.08 5.348 1000 1791.50 4.483 726 1523.80 3.813 600
in CDCl3
KBr disc
nujol mull
