Benzoin(579-44-2) IR2
Molecular FormulaC14H12O2
Molecular Weight212.24
InChIInChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
InChIKey ISAOCJYIOMOJEB-UHFFFAOYSA-N
SmilesC(C1=CC=CC=C1)(C(C1=CC=CC=C1)=O)O
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MassMS-NW-0177 benzoin C14H12O2 (Mass of molecular ion: 212)
Source Temperature: 180 °C Sample Temperature: 0 °C Direct, 75 eV
27.0 3.7 28.0 1.9 29.0 3.0 38.0 1.1 39.0 5.1 50.0 8.9 51.0 30.4 52.0 4.5 53.0 2.7 62.0 1.2 63.0 2.9 74.0 2.3 75.0 1.9 76.0 2.9 77.0 75.8 78.0 11.9 79.0 48.1 80.0 3.2 89.0 1.8 90.0 1.0 105.0 100.0 106.0 11.1 107.0 63.6 108.0 4.9 165.0 1.5 212.0 3.2
400 MHz in DMSO-d6
90 MHz in DMSO-d6
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1H NMR 399.65 MHz C14 H12 O2 0.040 g : 0.5 ml DMSO-d6 benzoin 
Assign. Shift(ppm)
A 8.024 B 7.560 C 7.46 D 7.45 E 7.319 F 7.242 G 6.12 J 6.090
Hz ppm Int.3213.62 8.042 90 3211.79 8.037 466 3210.57 8.034 529 3205.57 8.021 176 3203.61 8.017 592 3202.15 8.013 488 3031.62 7.586 74 3030.27 7.583 131 3029.05 7.580 79 3024.90 7.569 103 3022.95 7.564 325 3021.00 7.560 110 3016.85 7.549 155 3015.50 7.546 247 3014.28 7.543 131 2988.28 7.478 432 2987.92 7.477 435 2986.57 7.473 213 2980.47 7.458 1000 2972.78 7.439 760 2933.23 7.340 325 2931.40 7.335 130 2925.90 7.322 660 2924.56 7.318 319 2919.68 7.306 188 2918.33 7.303 371 2901.12 7.260 150 2899.78 7.256 262 2898.44 7.253 152 2894.65 7.243 110 2892.58 7.238 313 2890.26 7.232 86 2886.47 7.223 72 2885.13 7.220 110 2883.91 7.217 60 2451.17 6.134 260 2445.31 6.119 557 2435.79 6.095 897 2429.93 6.081 427
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1H NMR 89.56 MHz C14 H12 O2 0.048 g : 0.5 ml DMSO-d6 benzoin Assign. Shift(ppm)
A 8.01 B 7.70 to 7.06 C 6.098 D 6.03
Hz ppm Int.722.50 8.068 382 720.94 8.050 416 719.25 8.031 196 718.31 8.021 157 717.06 8.007 150 715.44 7.989 371 715.00 7.984 349 714.06 7.973 179 712.75 7.959 518 711.44 7.944 111 679.19 7.584 137 678.00 7.571 169 675.19 7.539 196 674.50 7.532 326 672.63 7.511 1000 671.88 7.503 443 670.75 7.490 446 670.19 7.484 340 669.25 7.473 325 667.06 7.449 407 666.19 7.439 411 665.44 7.431 547 664.94 7.425 565 664.25 7.417 609 662.44 7.397 686 660.69 7.378 358 659.94 7.369 299 658.63 7.355 288 656.50 7.331 641 655.56 7.320 636 653.19 7.294 430 651.19 7.271 368 650.19 7.260 568 648.31 7.239 509 645.75 7.211 188 644.31 7.195 108 545.81 6.095 413
KBr disc
Nujol
4880 A,200 M,powder
REACTION OF NAOH WITH BENZOIN/BENZIL/DMSO
