Hexacyanine 2(36536-22-8) MS
Product NameHexacyanine 2
CAS36536-22-8
Molecular FormulaC27H31IN2
Molecular Weight510.45
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MassMS-NW-7675 1,1',3,3,3',3'-hexamethylindodicarbocyanine iodide C27H31IN2 (Mass of molecular ion: 510)
Source Temperature: 220 °C Sample Temperature: 220 °C Direct, 75 eV
15.0 5.2 27.0 1.6 39.0 3.0 41.0 1.1 42.0 1.3 50.0 1.3 51.0 3.9 52.0 1.0 56.0 2.8 63.0 2.4 64.0 1.2 65.0 2.1 71.5 1.7 72.0 1.2 75.0 1.6 76.0 1.7 77.0 5.8 77.5 1.0 78.0 1.7 78.5 3.0 79.0 3.7 79.5 1.9 85.5 1.4 86.5 1.7 89.0 2.3 90.0 1.3 91.0 3.5 101.0 1.3 102.0 2.5 103.0 2.7 115.0 8.8 116.0 3.2 117.0 4.1 118.0 1.5 127.0 9.9 128.0 9.0 129.0 2.5 130.0 3.2 131.0 1.6 139.0 1.0 140.0 1.1 141.0 3.0 142.0 24.1 143.0 10.6 144.0 16.0 145.0 4.6 146.0 1.1 152.0 1.0 154.0 2.2 156.0 4.9 157.0 7.4 158.0 100.0 159.0 34.6 160.0 6.7 161.0 1.3 167.0 2.6 168.0 3.0 169.0 2.7 170.0 2.3 171.0 1.8 172.0 12.1 173.0 28.4 174.0 4.2 175.0 1.0 176.0 1.3 176.5 1.7 180.0 6.2 181.0 5.1 182.0 3.6 183.0 1.1 184.0 5.7 185.0 1.2 186.0 1.6 187.0 2.0 192.0 1.0 193.0 1.0 194.0 3.5 195.0 1.8 196.0 5.2 197.0 1.5 198.0 1.0 199.0 1.4 206.0 1.5 208.0 4.1 209.0 1.8 210.0 2.7 220.0 1.0 221.0 1.0 222.0 1.6 223.0 1.0 238.0 1.1 323.0 1.1 327.0 1.3 337.0 1.1 338.0 1.2 342.0 2.2 352.0 1.2 353.0 9.7 354.0 3.3 367.0 3.0 368.0 12.7 369.0 4.6 370.0 1.1 382.0 6.7 383.0 2.4 384.0 1.8 390.0 1.1
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C27 H31 I N2 0.024 g : 0.5 ml DMSO-d6 1,1',3,3,3',3'-hexamethylindodicarbocyanine iodide 
Assign. Shift(ppm)
A 8.328 B 7.617 C 7.41 D 7.39 E 7.251 F 6.546 G 6.275 J 3.601 K 1.683
Hz ppm Int.3341.80 8.362 32 3328.98 8.330 49 3328.61 8.329 50 3328.25 8.328 50 3315.43 8.296 36 3048.10 7.627 77 3040.77 7.609 91 2963.50 7.416 62 2962.40 7.413 65 2955.93 7.397 178 2954.96 7.394 131 2948.12 7.377 32 2905.76 7.271 47 2903.93 7.267 41 2899.05 7.254 50 2898.32 7.253 58 2897.34 7.250 54 2896.61 7.248 50 2891.85 7.236 38 2889.89 7.232 36 2616.09 6.546 37 2514.65 6.293 76 2500.73 6.258 74 1439.45 3.602 654 672.73 1.684 1000
in DMSO-d6
KBr disc
nujol mull
