Dibenzosuberone(1210-35-1) IR1
Product NameDibenzosuberone
CAS1210-35-1
Molecular FormulaC15H12O
Molecular Weight208.26
InChIInChI=1S/C15H12O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8H,9-10H2
InChIKey BMVWCPGVLSILMU-UHFFFAOYSA-N
SmilesC12=CC=CC=C1C(=O)C1=CC=CC=C1CC2
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MassMS-NW-5881 10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-one C15H12O (Mass of molecular ion: 208)
Source Temperature: 270 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 1.1 39.0 4.2 50.0 2.9 51.0 5.5 52.0 1.0 62.0 1.9 63.0 6.3 64.0 2.1 65.0 1.6 74.0 2.0 75.0 2.9 76.0 9.7 76.5 1.1 77.0 6.3 78.0 1.6 82.5 2.2 87.0 1.4 88.0 3.4 88.5 1.3 89.0 16.0 89.5 2.4 90.0 6.2 91.0 2.7 102.0 2.1 103.0 3.4 103.5 1.0 104.0 1.2 105.0 1.4 115.0 2.4 126.0 1.3 127.0 1.0 128.0 1.2 130.0 1.9 131.0 2.4 139.0 2.3 150.0 1.6 151.0 4.4 152.0 8.4 153.0 2.0 163.0 1.3 164.0 1.2 165.0 23.0 166.0 3.6 176.0 5.8 177.0 5.4 178.0 33.3 179.0 47.7 180.0 49.3 181.0 7.5 191.0 1.5 193.0 5.4 194.0 1.1 206.0 1.6 207.0 32.6 208.0 100.0 209.0 16.2 210.0 1.4
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C15 H12 O 0.05 ml : 0.5 ml CDCl3 10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-one 
Assign. Shift(ppm)
A 7.992 B 7.372 C 7.278 D 7.159 E 3.127
Hz ppm Int.3198.97 8.005 240 3197.63 8.002 231 3191.16 7.985 252 3189.70 7.982 244 2955.44 7.396 125 2953.98 7.392 126 2948.12 7.377 291 2946.53 7.373 270 2940.67 7.359 213 2939.09 7.355 196 2916.26 7.298 171 2915.04 7.294 178 2908.57 7.278 230 2907.35 7.275 230 2901.12 7.260 121 2899.78 7.256 116 2865.11 7.170 247 2864.01 7.167 232 2857.42 7.150 207 2856.45 7.148 197 1249.88 3.128 1000
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1H NMR 89.56 MHz C15 H12 O 0.04 ml : 0.5ml CDCl3 10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-one Assign. Shift(ppm)
A 7.996 B 7.40 C 7.30 D 7.19 E 3.180
Hz ppm Int.721.63 8.058 102 721.00 8.051 103 719.75 8.037 104 718.50 8.023 88 714.31 7.976 261 712.25 7.953 159 711.81 7.948 155 673.25 7.518 35 671.31 7.496 53 666.88 7.447 33 665.94 7.436 155 664.38 7.419 101 663.94 7.414 116 661.06 7.382 136 659.63 7.366 416 658.44 7.352 342 657.06 7.337 284 653.81 7.301 131 651.75 7.278 206 648.00 7.236 249 645.88 7.212 164 644.38 7.195 46 642.19 7.171 58 641.75 7.166 51 640.94 7.157 59 639.25 7.138 72 284.88 3.181 1000
liquid film
