2-PHENYL-1,3-INDANDIONE(83-12-5) MS
Product Name2-PHENYL-1,3-INDANDIONE
CAS83-12-5
Molecular FormulaC15H10O2
Molecular Weight222.24
InChIInChI=1S/C15H10O2/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9,13H
InChIKey NFBAXHOPROOJAW-UHFFFAOYSA-N
SmilesC1(=O)C2=C(C=CC=C2)C(=O)C1C1=CC=CC=C1
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MassMS-NW-7232 2-phenyl-1,3-indandione C15H10O2 (Mass of molecular ion: 222)
Source Temperature: 170 °C Sample Temperature: 120 °C Direct, 75 eV
39.0 2.2 50.0 4.2 51.0 2.5 62.0 1.5 63.0 3.9 64.0 1.3 69.5 1.3 74.0 1.6 75.0 2.1 76.0 10.9 77.0 3.1 81.5 1.1 82.0 4.2 82.5 3.9 83.0 1.7 89.0 6.4 90.0 6.5 104.0 6.8 105.0 3.3 111.0 2.8 115.0 1.3 118.0 1.0 139.0 2.4 163.0 2.7 164.0 3.4 165.0 37.8 166.0 8.3 177.0 1.0 193.0 4.2 194.0 9.9 195.0 1.5 221.0 2.9 222.0 100.0 223.0 16.5 224.0 1.7
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C15 H10 O2 0.067 g : 0.5 ml CDCl3 2-phenyl-1,3-indandione 
Assign. Shift(ppm)
A 8.043 B 7.872 C 7.328 D 7.291 E 7.182 F 4.263 90MHZ : HSP-04-956
Hz ppm Int.3224.12 8.068 89 3222.66 8.064 118 3219.24 8.056 819 3216.06 8.048 764 3213.50 8.041 632 3210.45 8.034 1000 3206.91 8.025 108 3205.57 8.021 82 3154.66 7.894 122 3153.44 7.891 147 3149.90 7.882 965 3146.73 7.874 622 3144.17 7.868 716 3141.11 7.860 780 3138.79 7.854 36 3137.70 7.852 77 3136.11 7.848 53 2939.82 7.356 159 2938.11 7.352 224 2936.28 7.348 139 2933.72 7.341 235 2931.15 7.335 654 2929.32 7.330 341 2925.42 7.320 314 2923.95 7.317 687 2923.22 7.315 479 2921.39 7.310 151 2920.04 7.307 230 2918.33 7.303 436 2916.87 7.299 278 2914.06 7.292 132 2911.38 7.285 341 2907.84 7.276 87 2905.40 7.270 78 2903.93 7.267 115 2902.59 7.263 70 2874.39 7.193 508 2872.80 7.189 603 2870.61 7.183 181 2867.92 7.177 238 2867.43 7.175 270 2866.21 7.172 447 2865.84 7.171 472 2864.87 7.169 388 2862.18 7.162 57 1703.74 4.264 931
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1H NMR 89.56 MHz C15 H10 O2 0.067 g : 0.5 ml CDCl3 2-phenyl-1,3-indandione Assign. Shift(ppm)
A 8.023 B 7.877 C 7.40 to 7.100 D 4.258 400MHZ : HSP-42-322
Hz ppm Int.728.31 8.133 49 725.44 8.101 388 723.94 8.084 88 722.44 8.067 318 721.94 8.061 334 720.31 8.043 344 719.00 8.029 467 716.63 8.002 753 716.25 7.998 805 713.13 7.963 277 712.56 7.957 268 711.88 7.949 266 711.31 7.943 283 708.13 7.907 765 707.75 7.903 754 705.38 7.877 425 704.06 7.862 363 702.50 7.844 355 702.00 7.839 337 698.94 7.805 402 696.06 7.772 77 695.25 7.763 56 694.81 7.759 62 663.50 7.409 78 662.94 7.403 62 662.13 7.394 71 660.81 7.379 93 659.69 7.366 308 658.06 7.348 334 657.13 7.338 266 654.75 7.311 649 653.81 7.301 663 652.56 7.287 1000 652.13 7.282 959 649.88 7.257 706 648.81 7.245 493 646.63 7.221 669 643.56 7.186 361 642.50 7.174 377 641.13 7.159 222 638.81 7.133 282 636.56 7.108 204 634.69 7.087 70 381.44 4.260 878
in CDCl3
KBr disc
nujol mull
