Product Name3,3-Bis(4-acetoxyphenyl)-1(3H)-isobenzofuranone/3,3-bis(4-isovaleryloxyphenyl)-1(3H)-isobenzofuranone
Molecular Formula
Molecular Weight
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MassMS-IW-3291 Phenovalin C30H30O6 C24H18O6 (Mass of molecular ion: 486)
Source Temperature: 190 °C Sample Temperature: 180 °C Direct, 75 eV
27.0 1.4 28.0 1.1 29.0 7.0 39.0 1.7 41.0 11.6 42.0 1.1 43.0 10.8 55.0 1.9 57.0 52.7 58.0 2.4 69.0 2.4 76.0 2.8 83.0 1.3 85.0 40.2 86.0 2.3 93.0 1.1 104.0 5.0 105.0 1.2 115.0 1.0 121.0 13.5 122.0 1.0 139.0 1.7 141.0 1.9 151.0 1.0 152.0 1.9 168.0 1.6 181.0 5.3 189.0 1.6 196.0 1.4 197.0 8.4 198.0 1.3 202.0 1.4 213.0 1.3 215.0 3.0 224.0 2.0 225.0 18.3 226.0 5.0 227.0 1.7 244.0 2.3 245.0 1.6 255.0 1.1 257.0 5.5 258.0 1.2 271.0 1.0 272.0 1.0 273.0 12.1 274.0 59.7 275.0 12.2 276.0 1.5 289.0 1.1 301.0 1.0 302.0 2.2 317.0 2.4 318.0 100.0 319.0 31.5 320.0 5.2 360.0 11.6 361.0 3.8 386.0 3.5 387.0 1.9 402.0 22.2 403.0 15.7 404.0 3.7 486.0 3.2 487.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C30 H30 O6 0.052 g : 0.5 ml CDCl3 phenovalin 
Assign. Shift(ppm)
A 7.94 B 7.70 C 7.56 D 7.56 E 7.35 F *1 7.07 G *1 7.06 J 2.422 K 2.279 L 2.22 M 1.037 1:1 MIXTURE OF METHYL AND ISOPROPYL DERIVATIVES.
Hz ppm Int.3177.00 7.950 59 3176.27 7.948 58 3175.66 7.947 72 3168.46 7.929 86 3079.22 7.705 51 3078.61 7.704 39 3077.27 7.700 53 3076.17 7.698 34 3071.78 7.687 39 3070.56 7.684 39 3069.58 7.681 37 3068.48 7.678 31 3029.79 7.582 52 3028.44 7.578 37 3025.02 7.570 47 3023.68 7.566 81 3022.71 7.564 86 3021.97 7.562 95 3021.12 7.560 126 3017.33 7.550 38 3016.48 7.548 51 3015.63 7.546 73 3014.28 7.543 56 3013.43 7.541 85 2943.85 7.367 252 2942.38 7.363 234 2940.31 7.358 78 2937.13 7.350 90 2934.94 7.344 315 2933.47 7.341 273 2932.13 7.337 59 2930.66 7.334 39 2832.76 7.089 32 2829.96 7.082 278 2827.76 7.076 97 2826.17 7.072 250 2823.97 7.067 91 2823.24 7.065 93 2821.04 7.059 257 2819.46 7.055 80 2817.26 7.050 224 971.80 2.432 233 964.72 2.414 287 910.77 2.279 1000 907.10 2.270 32 900.02 2.253 30 893.19 2.235 43 886.47 2.219 48 879.76 2.202 35 879.27 2.201 35 417.97 1.046 930 411.25 1.030 901
in CDCl3
KBr disc
nujol mull
