1,3,3-TRIMETHYLINDOLINO-6'-BROMOBENZOPYRYLOSPIRAN(16650-14-9) MS
Product Name1,3,3-TRIMETHYLINDOLINO-6'-BROMOBENZOPYRYLOSPIRAN
CAS16650-14-9
Molecular FormulaC19H18BrNO
Molecular Weight356.26
InChIInChI=1S/C19H18BrNO/c1-18(2)15-6-4-5-7-16(15)21(3)19(18)11-10-13-12-14(20)8-9-17(13)22-19/h4-12H,1-3H3
InChIKey BDULIJWZMMHIEQ-UHFFFAOYSA-N
SmilesC12(C(C)(C)C3=C(N1C)C=CC=C3)OC1=CC=C(Br)C=C1C=C2
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MassMS-IW-4316 6-bromo-1',3',3'-trimethylspiro(2H-chromene-2,2'-indoline) C19H18BrNO (Mass of molecular ion: 355)
Source Temperature: 160 °C Sample Temperature: 130 °C Direct, 75 eV
51.0 1.0 63.0 1.0 77.0 2.3 89.0 1.7 91.0 1.7 95.5 1.5 101.0 1.5 102.0 2.2 102.5 1.0 103.0 1.5 107.5 1.1 108.5 5.0 109.0 3.3 114.0 1.6 114.5 1.0 115.0 4.5 115.5 3.1 116.0 2.4 116.5 1.1 117.0 2.3 118.0 1.5 120.5 1.9 121.0 1.2 121.5 1.3 123.0 1.2 123.5 3.2 124.0 4.1 128.0 1.9 129.0 1.7 130.0 2.6 130.5 5.0 131.0 2.4 132.0 1.3 138.0 1.4 142.0 1.1 143.0 2.9 144.0 15.2 145.0 4.4 154.0 1.3 156.0 3.0 157.0 2.3 158.0 34.5 159.0 100.0 160.0 12.6 163.5 3.1 164.5 2.5 167.0 1.8 168.0 3.0 169.0 1.2 170.0 3.6 171.0 5.2 172.0 1.6 173.0 3.3 177.5 1.7 178.5 1.7 184.0 1.2 203.0 1.2 209.0 1.9 211.0 1.8 216.0 2.0 217.0 3.5 218.0 2.9 230.0 1.2 231.0 1.3 232.0 1.6 244.0 1.2 245.0 1.2 246.0 1.9 260.0 6.0 261.0 7.2 262.0 1.4 310.0 1.1 312.0 1.5 324.0 2.1 325.0 4.9 326.0 2.6 327.0 4.5 338.0 5.1 339.0 2.0 340.0 20.6 341.0 5.0 342.0 16.1 343.0 3.3 354.0 6.5 355.0 54.2 356.0 17.4 357.0 53.9 358.0 11.0 359.0 1.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C19 H18 Br N O 0.041 g : 0.5 ml CDCl3 6-bromo-1',3',3'-trimethylspiro(2H-chromene-2,2'-indoline) 
Assign. Shift(ppm)
A 7.180 B 7.16 C 7.14 D 7.064 E 6.845 F 6.769 G 6.585 J 6.520 K 5.715 L 2.708 M *1 1.285 N *1 1.152 ASSIGNED BY H-H COSY
Hz ppm Int.2875.49 7.196 53 2874.27 7.192 57 2867.92 7.177 107 2866.58 7.173 116 2864.87 7.169 48 2862.30 7.163 188 2861.45 7.160 204 2860.23 7.157 118 2859.13 7.155 193 2855.47 7.145 137 2853.03 7.139 66 2828.00 7.077 68 2827.51 7.075 75 2826.66 7.073 77 2826.29 7.072 71 2820.31 7.057 91 2819.46 7.055 89 2743.29 6.865 64 2742.43 6.863 69 2735.96 6.846 98 2734.99 6.844 103 2728.52 6.828 52 2727.54 6.825 53 2710.57 6.783 110 2700.32 6.757 115 2636.47 6.597 108 2626.95 6.574 98 2609.74 6.531 97 2602.05 6.511 92 2289.31 5.729 151 2279.05 5.703 144 1082.40 2.709 1000 513.55 1.285 676 460.45 1.153 626
in CDCl3
CCl4 solution
KBr disc
