DIBENZOSUBERYL CHLORIDE(1210-33-9) 1H NMR
Product NameDIBENZOSUBERYL CHLORIDE
CAS1210-33-9
Molecular FormulaC15H13Cl
Molecular Weight228.72
InChIInChI=1S/C15H13Cl/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8,15H,9-10H2
InChIKey QPERNSDCEUTOTE-UHFFFAOYSA-N
SmilesC12=CC=CC=C1C(Cl)C1=CC=CC=C1CC2
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MassMS-IW-9261 5-chloro-10,11-dihydro-5H-dibenzo(a,d)cycloheptene C15H13Cl (Mass of molecular ion: 228)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
36.0 1.5 63.0 1.1 76.0 1.4 81.5 1.0 82.0 1.3 82.5 4.1 83.0 1.3 89.0 5.1 91.0 2.8 94.0 1.0 94.5 3.2 95.0 2.0 95.5 4.0 96.0 3.0 96.5 1.1 115.0 14.2 116.0 2.0 152.0 1.7 165.0 4.9 176.0 1.1 178.0 15.6 179.0 4.3 189.0 6.2 190.0 3.1 191.0 17.8 192.0 13.3 193.0 100.0 194.0 19.6 195.0 1.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C15 H13 Cl 0.043 g : 0.5 ml CDCl3 5-chloro-10,11-dihydro-5H-dibenzo(a,d)cycloheptene 
Assign. Shift(ppm)
A 7.44 to 7.02 B 6.093 C *1 3.73 D *1 2.97
Hz ppm Int.662.50 7.398 93 660.19 7.372 137 659.13 7.360 118 658.25 7.350 96 656.69 7.333 191 655.69 7.322 196 652.75 7.289 379 649.75 7.255 292 648.81 7.245 356 646.38 7.218 878 645.38 7.207 1000 643.81 7.189 643 642.38 7.173 420 640.50 7.152 240 638.31 7.128 139 635.19 7.093 73 545.19 6.088 408 351.31 3.923 82 345.94 3.863 58 341.56 3.814 97 339.69 3.793 112 335.50 3.747 118 333.25 3.721 121 326.75 3.649 128 325.88 3.639 142 321.00 3.585 59 275.38 3.075 144 274.19 3.062 123 267.75 2.990 131 265.50 2.965 119 261.56 2.921 106 259.50 2.898 110 255.13 2.849 61 249.63 2.788 74
KBr disc
nujol mull
