Product Name2A,3,4,5-TETRAHYDROBENZ(CD)INDOL-2(1H)-ONE
Molecular FormulaC11H11NO
Molecular Weight173.21114
InChI
InChIKey
Smiles
Mass
MS-NW-7851 2a,3,4,5-tetrahydrobenz(cd)indol-2(1H)-one C11H11NO (Mass of molecular ion: 173)
Source Temperature: 190 °C Sample Temperature: 140 °C Direct, 75 eV
27.0 3.0 28.0 2.1 38.0 1.4 39.0 8.8 40.0 1.2 41.0 2.0 50.0 3.1 51.0 8.8 52.0 4.0 53.0 2.1 57.5 1.9 58.5 4.2 62.0 2.1 63.0 7.6 64.0 4.7 64.5 1.0 65.0 7.2 66.0 1.2 70.5 2.5 71.5 9.5 72.0 2.2 72.5 2.0 74.0 1.3 75.0 2.6 76.0 3.0 77.0 9.3 78.0 3.3 85.5 1.3 86.5 3.2 87.0 1.4 88.0 1.3 89.0 8.2 90.0 5.7 91.0 6.4 101.0 1.6 102.0 3.7 103.0 5.8 104.0 2.2 113.0 1.1 114.0 1.9 115.0 17.7 116.0 7.5 117.0 13.7 118.0 2.9 126.0 1.3 127.0 11.8 128.0 14.1 129.0 6.7 130.0 52.1 131.0 5.8 132.0 1.9 140.0 1.5 141.0 1.0 142.0 2.5 143.0 11.9 144.0 87.8 145.0 77.1 146.0 8.6 154.0 1.6 156.0 1.0 171.0 1.1 172.0 3.5 173.0 100.0 174.0 12.9 175.0 1.0
400 MHz in CDCl3
1H NMR | 399.65 MHz |
C11 H11 N O | 0.032 g : 0.5 ml CDCl3 |
2a,3,4,5-tetrahydrobenz(cd)indol-2(1H)-one |
Assign. Shift(ppm) |
Hz ppm Int.
3569.09 8.931 365 2852.17 7.137 31 2846.92 7.124 409 2846.07 7.122 477 2839.11 7.104 869 2838.38 7.103 1000 2831.42 7.085 506 2830.57 7.083 579 2712.89 6.789 932 2704.96 6.769 827 2676.64 6.698 962 2669.07 6.679 879 1337.77 3.348 310 1332.40 3.334 332 1325.81 3.318 333 1320.68 3.305 325 1167.60 2.922 222 1160.03 2.903 241 1155.27 2.891 46 1150.02 2.878 311 1142.58 2.859 319 1064.58 2.664 178 1056.15 2.643 278 1047.24 2.621 330 1038.57 2.599 209 1029.91 2.578 149 979.49 2.451 162 975.71 2.442 341 974.24 2.438 242 971.92 2.432 242 970.34 2.428 364 966.80 2.420 305 963.50 2.411 370 962.04 2.408 262 959.59 2.402 242 958.13 2.398 366 954.22 2.388 181 866.70 2.169 91 864.50 2.164 115 863.04 2.160 187 860.84 2.154 204 859.38 2.151 204 857.06 2.145 195 855.71 2.142 219 852.91 2.135 239 849.00 2.125 295 846.80 2.119 280 845.34 2.116 271 843.02 2.110 253 841.67 2.107 278 839.36 2.101 245 838.01 2.097 184 835.69 2.092 162 833.74 2.087 118 825.68 2.067 30 778.69 1.949 97 774.66 1.939 106 771.00 1.930 111 768.55 1.924 128 766.24 1.918 183 764.65 1.914 213 762.08 1.907 158 760.86 1.904 193 758.42 1.898 170 756.84 1.894 224 754.52 1.888 233 752.20 1.883 242 750.73 1.879 153 748.29 1.873 192 744.38 1.863 198 742.19 1.858 148 740.60 1.854 115 738.04 1.847 96 734.38 1.838 83 730.47 1.828 73 565.19 1.415 179 561.40 1.405 190 552.86 1.384 451 549.19 1.375 443 540.77 1.354 423 536.99 1.344 407 528.56 1.323 159 524.78 1.314 143
KBr disc
nujol mull
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