5-Dibenzosuberenone(2222-33-5) 1H NMR
Product Name5-Dibenzosuberenone
CAS2222-33-5
Molecular FormulaC15H10O
Molecular Weight206.24
InChIInChI=1S/C15H10O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10H
InChIKey SNVTZAIYUGUKNI-UHFFFAOYSA-N
SmilesC12=CC=CC=C1C(=O)C1=CC=CC=C1C=C2
-
MassMS-NW-6551 5H-dibenzo(a,d)cyclohepten-5-one C15H10O (Mass of molecular ion: 206)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
39.0 2.8 50.0 3.2 51.0 3.5 62.0 2.6 63.0 6.4 74.0 3.5 75.0 6.4 75.5 1.2 76.0 18.0 76.5 2.2 77.0 1.9 86.0 1.5 87.0 3.1 87.5 1.0 88.0 12.8 88.5 3.6 89.0 13.2 89.5 1.9 98.0 1.6 99.0 1.2 101.0 1.0 102.0 1.2 103.0 2.8 126.0 2.0 128.0 1.0 139.0 1.7 150.0 5.5 151.0 9.6 152.0 10.8 153.0 1.4 174.0 1.6 175.0 2.8 176.0 19.8 177.0 12.6 178.0 100.0 179.0 15.2 180.0 1.3 205.0 1.0 206.0 78.1 207.0 12.9 208.0 1.4
90 MHz in CDCl3
400 MHz in CDCl3
-
1H NMR 89.56 MHz C15 H10 O 0.046 g : 0.5 ml CDCl3 5H-dibenzo(a,d)cyclohepten-5-one 
Assign. Shift(ppm)
A 8.20 B 7.71 to 7.35 C 6.990
Hz ppm Int.740.44 8.268 56 739.69 8.260 117 737.75 8.238 141 737.13 8.231 114 734.50 8.202 124 732.38 8.178 116 731.81 8.172 122 730.75 8.160 89 729.63 8.147 227 687.06 7.672 45 683.19 7.629 41 682.19 7.618 110 678.94 7.581 146 676.88 7.558 191 676.06 7.549 536 675.50 7.543 605 673.38 7.519 478 672.94 7.514 479 672.19 7.506 274 671.06 7.493 487 670.06 7.482 474 667.38 7.452 60 666.19 7.439 185 663.31 7.407 69 661.25 7.384 83 626.06 6.991 1000
-
1H NMR 399.65 MHz C15 H10 O 0.044 g : 0.5 ml CDCl3 5H-dibenzo(a,d)cyclohepten-5-one Assign. Shift(ppm)
A 8.204 B 7.585 C 7.51 D 7.49 E 7.003
Hz ppm Int.3283.45 8.216 189 3282.10 8.213 207 3275.76 8.197 202 3274.29 8.193 221 3041.14 7.610 115 3039.67 7.606 121 3033.69 7.591 251 3032.10 7.587 300 3030.15 7.583 31 3026.25 7.573 266 3024.66 7.569 249 3009.64 7.531 199 3008.18 7.528 281 3005.98 7.522 36 3002.32 7.513 190 3001.83 7.512 194 3000.49 7.508 356 2997.80 7.502 280 2997.19 7.500 347 2996.34 7.498 249 2994.51 7.493 172 2993.04 7.490 171 2989.75 7.481 203 2988.77 7.479 177 2798.95 7.004 1000
in CDCl3
KBr disc
nujol mull
