3-Methylbenzophenone(643-65-2) Raman
Product Name3-Methylbenzophenone
CAS643-65-2
Molecular FormulaC14H12O
Molecular Weight196.24
InChIInChI=1S/C14H12O/c1-11-6-5-9-13(10-11)14(15)12-7-3-2-4-8-12/h2-10H,1H3
InChIKey URBLVRAVOIVZFJ-UHFFFAOYSA-N
SmilesC(C1=CC=CC(C)=C1)(C1=CC=CC=C1)=O
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MassMS-NW-5463 3-methylbenzophenone C14H12O (Mass of molecular ion: 196)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 1.4 39.0 6.9 41.0 1.9 50.0 4.1 51.0 13.7 52.0 1.2 62.0 1.6 63.0 4.6 64.0 1.3 65.0 15.2 74.0 1.6 75.0 1.5 76.0 2.7 77.0 37.8 78.0 2.9 83.0 1.2 84.0 1.8 89.0 3.9 90.0 2.2 91.0 37.6 92.0 3.1 105.0 62.7 106.0 4.8 119.0 100.0 120.0 9.0 152.0 2.9 153.0 1.4 165.0 3.4 166.0 1.0 167.0 2.2 168.0 2.0 181.0 11.0 182.0 2.0 195.0 4.4 196.0 73.8 197.0 12.0 198.0 1.2
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C14 H12 O 0.05 ml : 0.5 ml CDCl3 3-methylbenzophenone 
Assign. Shift(ppm)
A 7.783 B 7.617 C 7.56 D 7.54 E 7.445 F 7.361 G 7.328 J 2.383 90MHZ. : HSP-03-472
Hz ppm Int.3116.46 7.798 69 3114.62 7.794 300 3114.01 7.792 264 3113.40 7.791 368 3112.06 7.787 157 3111.69 7.787 143 3108.40 7.778 126 3106.32 7.773 428 3104.98 7.770 371 3046.51 7.623 102 3045.78 7.622 148 3044.80 7.619 214 3044.19 7.618 247 3043.46 7.616 208 3042.36 7.613 159 3041.75 7.612 109 3025.27 7.570 94 3024.17 7.568 153 3023.80 7.567 153 3022.83 7.564 202 3021.48 7.561 131 3017.46 7.551 172 3015.50 7.546 292 3013.43 7.541 119 3009.40 7.531 120 3008.06 7.527 193 3006.59 7.524 100 2985.11 7.470 33 2983.40 7.466 87 2982.18 7.462 234 2981.69 7.461 295 2980.10 7.457 138 2974.98 7.444 224 2973.88 7.442 377 2972.41 7.438 122 2968.26 7.428 89 2966.55 7.423 187 2965.82 7.422 135 2964.97 7.419 61 2949.10 7.380 50 2948.49 7.378 58 2947.51 7.376 80 2946.90 7.374 84 2945.80 7.371 67 2945.19 7.370 62 2941.53 7.361 127 2940.92 7.359 149 2939.82 7.356 190 2939.21 7.355 197 2938.23 7.353 131 2937.62 7.351 112 2934.45 7.343 205 2933.96 7.342 215 2926.88 7.324 224 2919.19 7.305 81 963.26 2.411 36 952.88 2.385 1000 952.27 2.383 973 947.27 2.371 45
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1H NMR 89.56 MHz C14 H12 O 0.04 ml : 0.5 ml CDCl3 3-methylbenzophenone Assign. Shift(ppm)
A 7.77 B 7.62 C 7.51 D 7.62 to 7.45 E 7.37 F 7.32 G 2.395 400MHZ. : HSP-40-406
Hz ppm Int.702.50 7.844 170 700.88 7.826 189 699.13 7.807 114 698.19 7.796 83 697.25 7.786 77 695.56 7.767 183 695.13 7.762 178 694.25 7.752 86 692.81 7.736 287 691.50 7.722 73 685.75 7.657 51 685.06 7.650 30 682.38 7.620 201 681.50 7.610 176 680.69 7.601 169 680.19 7.595 130 679.06 7.583 122 677.75 7.568 130 677.25 7.562 111 675.75 7.546 72 674.44 7.531 241 672.50 7.509 500 670.63 7.489 180 669.94 7.481 147 669.19 7.472 150 667.94 7.459 56 667.06 7.449 117 666.06 7.438 163 665.44 7.431 189 665.00 7.426 198 664.13 7.416 55 663.25 7.406 56 662.69 7.400 42 660.81 7.379 383 659.88 7.369 319 658.38 7.352 126 657.75 7.345 102 656.63 7.332 119 656.13 7.327 91 655.19 7.316 116 654.06 7.304 135 214.75 2.398 1000 214.13 2.391 805
in CDCl3
liquid film
