6,11-DIHYDRO-5H-DIBENZO[B,E]AZEPINE(449-55-8) MS
Product Name6,11-DIHYDRO-5H-DIBENZO[B,E]AZEPINE
CAS449-55-8
Molecular FormulaC14H13N
Molecular Weight195.26
InChIInChI=1S/C14H13N/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-8,15H,9-10H2
InChIKey YSHVGIKWUJCBLY-UHFFFAOYSA-N
SmilesN1CC2=CC=CC=C2CC2=CC=CC=C12
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MassMS-NW-6329 6,11-dihydro-5H-dibenz(b,E)azepine C14H13N (Mass of molecular ion: 195)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
17.0 2.4 18.0 11.0 27.0 1.5 38.0 1.2 39.0 5.5 43.0 1.1 50.0 3.1 51.0 5.5 52.0 1.5 62.0 2.4 63.0 6.0 64.0 1.9 65.0 3.5 66.0 3.3 69.0 1.2 69.5 3.4 70.0 1.3 70.5 1.6 74.0 1.9 75.0 2.2 76.0 2.4 77.0 4.6 78.0 1.4 81.0 1.3 81.5 2.9 82.0 6.0 82.5 7.9 83.0 2.8 83.5 8.6 84.0 1.7 86.0 1.0 87.0 1.8 88.0 1.3 89.0 6.0 90.0 5.8 91.0 4.5 95.5 6.6 96.0 2.2 96.5 13.3 97.0 3.3 97.5 3.7 98.0 1.2 101.0 1.0 102.0 1.2 113.0 1.4 114.0 1.1 115.0 4.2 116.0 6.1 117.0 4.7 118.0 12.1 119.0 1.3 126.0 1.2 127.0 1.4 128.0 2.6 139.0 5.3 140.0 2.4 141.0 1.0 149.0 1.0 150.0 1.4 151.0 2.3 152.0 5.4 153.0 2.0 154.0 1.1 163.0 5.1 164.0 6.1 165.0 27.8 166.0 9.0 167.0 7.0 168.0 1.9 176.0 2.0 177.0 5.2 178.0 13.2 179.0 10.4 180.0 6.2 190.0 6.6 191.0 9.0 192.0 31.2 193.0 92.4 194.0 100.0 195.0 78.0 196.0 11.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C14 H13 N 0.038 g : 0.5 ml DMSO-d6 6,11-dihydro-5H-dibenz(b,e)azepine 
Assign. Shift(ppm)
A 7.20 B 6.887 C 6.813 D 6.38 E 6.37 F 5.89 G 4.398 J 4.095
Hz ppm Int.2891.60 7.236 30 2889.40 7.230 57 2888.18 7.227 103 2886.35 7.223 123 2885.01 7.219 213 2882.20 7.212 174 2879.15 7.205 513 2877.20 7.200 680 2875.98 7.197 1000 2875.24 7.195 775 2873.54 7.191 313 2871.83 7.186 279 2870.73 7.184 212 2869.63 7.181 110 2866.58 7.173 136 2755.37 6.895 181 2747.92 6.876 188 2731.57 6.835 116 2729.98 6.831 111 2724.24 6.817 179 2723.63 6.816 185 2722.41 6.812 197 2716.43 6.798 139 2714.72 6.793 121 2558.11 6.401 139 2556.88 6.398 183 2549.68 6.380 643 2543.46 6.365 112 2541.75 6.360 330 2357.79 5.900 92 2352.66 5.887 173 2349.73 5.880 64 2347.66 5.875 90 1760.50 4.406 604 1755.37 4.393 600 1636.60 4.096 910
in DMSO-d6
KBr disc
nujol mull
