Methyl 2-benzoylbenzoate(606-28-0) MS
Product NameMethyl 2-benzoylbenzoate
CAS606-28-0
Molecular FormulaC15H12O3
Molecular Weight240.25
InChIInChI=1S/C15H12O3/c1-18-15(17)13-10-6-5-9-12(13)14(16)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey NQSMEZJWJJVYOI-UHFFFAOYSA-N
SmilesC(OC)(=O)C1=CC=CC=C1C(=O)C1=CC=CC=C1
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MassMS-NW-8574 methyl o-benzoylbenzoate C15H12O3 (Mass of molecular ion: 240)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
15.0 1.2 18.0 1.8 39.0 1.4 50.0 6.3 51.0 11.9 63.0 1.5 64.0 1.1 74.0 2.0 75.0 2.8 76.0 8.8 77.0 47.8 78.0 3.6 79.0 1.0 92.0 4.9 104.0 2.7 105.0 62.9 106.0 4.9 120.0 1.3 126.0 1.0 127.0 1.0 133.0 2.6 135.0 3.3 150.0 1.0 151.0 3.6 152.0 11.6 153.0 4.6 163.0 100.0 164.0 10.0 165.0 1.7 180.0 2.0 181.0 6.2 182.0 1.0 209.0 20.4 210.0 4.0 211.0 1.0 212.0 1.3 225.0 1.1 240.0 44.5 241.0 7.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H12 O3 0.053 g : 0.5 ml CDCl3 methyl o-benzoylbenzoate 
Assign. Shift(ppm)
A 8.045 B 7.753 C *1 7.637 D *1 7.57 E 7.54 G 7.429 J 7.413 K 3.605
Hz ppm Int.3220.21 8.058 60 3219.73 8.057 67 3218.87 8.055 67 3218.38 8.053 59 3212.52 8.039 67 3212.04 8.038 73 3211.18 8.035 71 3210.57 8.034 64 3102.91 7.765 107 3102.29 7.763 95 3101.68 7.761 135 3100.46 7.758 55 3096.56 7.749 39 3094.60 7.744 152 3093.26 7.740 130 3061.52 7.661 34 3060.18 7.658 38 3054.08 7.642 95 3052.73 7.639 93 3046.63 7.624 72 3045.17 7.620 66 3033.20 7.590 60 3031.74 7.586 70 3025.39 7.571 82 3024.05 7.567 95 3017.94 7.552 59 3016.48 7.548 85 3016.11 7.547 89 3010.01 7.532 36 3008.67 7.529 63 3007.32 7.525 32 2976.07 7.447 102 2974.61 7.444 44 2969.36 7.430 90 2968.26 7.428 140 2966.43 7.423 93 2965.94 7.422 83 2964.97 7.419 79 2964.48 7.418 72 2962.65 7.414 33 2960.94 7.409 74 2960.21 7.408 53 2958.98 7.404 67 2958.37 7.403 68 2957.52 7.401 63 2957.03 7.400 57 1440.80 3.606 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
