4,4'-DIMETHYLBENZOIN(1218-89-9) IR1
Product Name4,4'-DIMETHYLBENZOIN
CAS1218-89-9
Molecular FormulaC16H16O2
Molecular Weight240.3
InChIInChI=1S/C16H16O2/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10,15,17H,1-2H3
InChIKey NBYSFWKNMLCZLO-UHFFFAOYSA-N
SmilesC(=O)(C1=CC=C(C)C=C1)C(O)C1=CC=C(C)C=C1
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MassMS-NW-9352 4,4'-dimethylbenzoin C16H16O2 (Mass of molecular ion: 240)
Source Temperature: 180 °C Sample Temperature: 130 °C Direct, 75 eV
18.0 2.0 39.0 2.1 41.0 1.0 51.0 1.4 63.0 1.1 65.0 7.9 77.0 7.3 78.0 1.2 89.0 1.3 91.0 29.4 92.0 3.0 93.0 15.8 94.0 1.2 119.0 100.0 120.0 10.5 121.0 87.0 122.0 7.6 223.0 1.0 240.0 4.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C16 H16 O2 0.094 g : 0.5 ml CDCl3 4,4'-dimethylbenzoin 
Assign. Shift(ppm)
A 7.805 B 7.208 C 7.141 D 7.087 E 5.891 F 4.61 G 2.298 J 2.240
Hz ppm Int.3124.15 7.818 337 3122.44 7.813 119 3117.55 7.801 130 3115.84 7.797 366 3114.14 7.793 66 2885.38 7.220 280 2883.67 7.216 110 2879.15 7.205 131 2877.32 7.200 398 2858.64 7.153 251 2858.03 7.152 291 2850.10 7.132 281 2849.37 7.130 244 2835.69 7.096 312 2827.88 7.076 239 2354.49 5.892 113 1844.12 4.615 47 918.46 2.299 972 895.39 2.241 1000
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
